N-[2-(azetidin-3-yloxy)ethyl]-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-(morpholin-4-ylmethyl)-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-[(2S)-5-(oxolan-2-yl)pentan-2-yl]-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-(3-propan-2-yloxypropyl)-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-propan-2-yl-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-[4-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]piperidin-1-yl]acetic acid

C155H213N33O12 — CID 163649405

IUPACN-[2-(azetidin-3-yloxy)ethyl]-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-(morpholin-4-ylmethyl)-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-[(2S)-5-(oxolan-2-yl)pentan-2-yl]-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-(3-propan-2-yloxypropyl)-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-propan-2-yl-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-[4-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]piperidin-1-yl]acetic acid
SMILESCOc1cc2c(NC(C)C)nc(N3CCCC3)nc2cc1C#CCN1CCCC1.COc1cc2c(NC3CCN(CC(=O)O)CC3)nc(N3CCCC3)nc2cc1C#CCN1CCCC1.COc1cc2c(NCCCOC(C)C)nc(N3CCCC3)nc2cc1C#CCN1CCCC1.COc1cc2c(NCCOC3CNC3)nc(N3CCCC3)nc2cc1C#CCN1CCCC1.COc1cc2c(NCN3CCOCC3)nc(N3CCCC3)nc2cc1C#CCN1CCCC1.COc1cc2c(N[C@@H](C)CCCC3CCCO3)nc(N3CCCC3)nc2cc1C#CCN1CCCC1
InChIInChI=1S/C29H41N5O2.C27H36N6O3.C26H37N5O2.2C25H34N6O2.C23H31N5O/c1-22(10-7-12-24-13-9-19-36-24)30-28-25-21-27(35-2)23(11-8-16-33-14-3-4-15-33)20-26(25)31-29(32-28)34-17-5-6-18-34;1-36-24-18-22-23(17-20(24)7-6-12-31-10-2-3-11-31)29-27(33-13-4-5-14-33)30-26(22)28-21-8-15-32(16-9-21)19-25(34)35;1-20(2)33-17-9-11-27-25-22-19-24(32-3)21(10-8-14-30-12-4-5-13-30)18-23(22)28-26(29-25)31-15-6-7-16-31;1-32-23-16-21-22(15-19(23)7-6-11-30-9-2-3-10-30)28-25(31-12-4-5-13-31)29-24(21)27-8-14-33-20-17-26-18-20;1-32-23-18-21-22(17-20(23)7-6-10-29-8-2-3-9-29)27-25(31-11-4-5-12-31)28-24(21)26-19-30-13-15-33-16-14-30;1-17(2)24-22-19-16-21(29-3)18(9-8-12-27-10-4-5-11-27)15-20(19)25-23(26-22)28-13-6-7-14-28/h20-22,24H,3-7,9-10,12-19H2,1-2H3,(H,30,31,32);17-18,21H,2-5,8-16,19H2,1H3,(H,34,35)(H,28,29,30);18-20H,4-7,9,11-17H2,1-3H3,(H,27,28,29);15-16,20,26H,2-5,8-14,17-18H2,1H3,(H,27,28,29);17-18H,2-5,8-16,19H2,1H3,(H,26,27,28);15-17H,4-7,10-14H2,1-3H3,(H,24,25,26)/t22-,24?;;;;;/m0...../s1
InChIKeyIKZCMYIVDJMEFJ-GLZPCYRESA-N
MW2730.63 g/mol
LogP19.38
Rot. Bonds44

About N-[2-(azetidin-3-yloxy)ethyl]-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-(morpholin-4-ylmethyl)-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-[(2S)-5-(oxolan-2-yl)pentan-2-yl]-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-(3-propan-2-yloxypropyl)-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-propan-2-yl-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-[4-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]piperidin-1-yl]acetic acid

N-[2-(azetidin-3-yloxy)ethyl]-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-(morpholin-4-ylmethyl)-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-[(2S)-5-(oxolan-2-yl)pentan-2-yl]-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-(3-propan-2-yloxypropyl)-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-propan-2-yl-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-[4-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]piperidin-1-yl]acetic acid (PubChem CID 163649405) has the molecular formula C155H213N33O12 and a molecular weight of 2730.63 g/mol. Its IUPAC name is N-[2-(azetidin-3-yloxy)ethyl]-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-(morpholin-4-ylmethyl)-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-[(2S)-5-(oxolan-2-yl)pentan-2-yl]-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-(3-propan-2-yloxypropyl)-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-propan-2-yl-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-[4-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]piperidin-1-yl]acetic acid.

Molecular Properties

Compound NameN-[2-(azetidin-3-yloxy)ethyl]-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-(morpholin-4-ylmethyl)-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-[(2S)-5-(oxolan-2-yl)pentan-2-yl]-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-(3-propan-2-yloxypropyl)-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-propan-2-yl-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-[4-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]piperidin-1-yl]acetic acid
PubChem CID163649405
Molecular FormulaC155H213N33O12
Molecular Weight2730.63 g/mol
Exact Mass2728.71
IUPAC NameN-[2-(azetidin-3-yloxy)ethyl]-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-(morpholin-4-ylmethyl)-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-[(2S)-5-(oxolan-2-yl)pentan-2-yl]-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-(3-propan-2-yloxypropyl)-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-propan-2-yl-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-[4-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]piperidin-1-yl]acetic acid
SMILESCOc1cc2c(NC(C)C)nc(N3CCCC3)nc2cc1C#CCN1CCCC1.COc1cc2c(NC3CCN(CC(=O)O)CC3)nc(N3CCCC3)nc2cc1C#CCN1CCCC1.COc1cc2c(NCCCOC(C)C)nc(N3CCCC3)nc2cc1C#CCN1CCCC1.COc1cc2c(NCCOC3CNC3)nc(N3CCCC3)nc2cc1C#CCN1CCCC1.COc1cc2c(NCN3CCOCC3)nc(N3CCCC3)nc2cc1C#CCN1CCCC1.COc1cc2c(N[C@@H](C)CCCC3CCCO3)nc(N3CCCC3)nc2cc1C#CCN1CCCC1
InChIInChI=1S/C29H41N5O2.C27H36N6O3.C26H37N5O2.2C25H34N6O2.C23H31N5O/c1-22(10-7-12-24-13-9-19-36-24)30-28-25-21-27(35-2)23(11-8-16-33-14-3-4-15-33)20-26(25)31-29(32-28)34-17-5-6-18-34;1-36-24-18-22-23(17-20(24)7-6-12-31-10-2-3-11-31)29-27(33-13-4-5-14-33)30-26(22)28-21-8-15-32(16-9-21)19-25(34)35;1-20(2)33-17-9-11-27-25-22-19-24(32-3)21(10-8-14-30-12-4-5-13-30)18-23(22)28-26(29-25)31-15-6-7-16-31;1-32-23-16-21-22(15-19(23)7-6-11-30-9-2-3-10-30)28-25(31-12-4-5-13-31)29-24(21)27-8-14-33-20-17-26-18-20;1-32-23-18-21-22(17-20(23)7-6-10-29-8-2-3-9-29)27-25(31-11-4-5-12-31)28-24(21)26-19-30-13-15-33-16-14-30;1-17(2)24-22-19-16-21(29-3)18(9-8-12-27-10-4-5-11-27)15-20(19)25-23(26-22)28-13-6-7-14-28/h20-22,24H,3-7,9-10,12-19H2,1-2H3,(H,30,31,32);17-18,21H,2-5,8-16,19H2,1H3,(H,34,35)(H,28,29,30);18-20H,4-7,9,11-17H2,1-3H3,(H,27,28,29);15-16,20,26H,2-5,8-14,17-18H2,1H3,(H,27,28,29);17-18H,2-5,8-16,19H2,1H3,(H,26,27,28);15-17H,4-7,10-14H2,1-3H3,(H,24,25,26)/t22-,24?;;;;;/m0...../s1
InChIKeyIKZCMYIVDJMEFJ-GLZPCYRESA-N
XLogP19.38
TPSA413.85 Ų
H-Bond Donors8
H-Bond Acceptors44
Rotatable Bonds44
Heavy Atoms200
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002730.63
LogP ≤ 519.38
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[2-(azetidin-3-yloxy)ethyl]-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-(morpholin-4-ylmethyl)-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-[(2S)-5-(oxolan-2-yl)pentan-2-yl]-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-(3-propan-2-yloxypropyl)-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-propan-2-yl-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-[4-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]piperidin-1-yl]acetic acid with MolForge

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Related Compounds

2-(4,4-difluoropiperidin-1-yl)-N-(1,1-dioxothiolan-2-yl)-6-methoxy-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-N-(1,1-dioxothiolan-3-yl)-6-methoxy-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(oxolan-3-yl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;N-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]methanesulfonamide;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyrrolidin-2-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine
CID 163420763
N-cyclobutyl-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;N-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(oxetan-3-yl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;N-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]cyclopropanecarboxamide;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylprop-1-ynyl)-N-(trifluoromethyl)quinazolin-4-amine
CID 163489404
N-benzyl-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-N-(1,1-dioxothian-4-yl)-6-methoxy-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-(oxetan-3-yl)-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]cyanamide;6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)-N-(trifluoromethyl)quinazolin-4-amine
CID 163495557
2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(morpholin-4-ylmethyl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(oxetan-3-yl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(piperidin-4-ylmethyl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine
CID 163663534
1-[2-(azetidin-1-yl)-7-[3-(dimethylamino)propoxy]-6-methoxyquinazolin-4-yl]piperidin-2-amine;2-(4,4-difluoropiperidin-1-yl)-N-(1,1-dioxothian-4-yl)-6-methoxy-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;1-(6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-yl)piperidin-2-ol;6-methoxy-N-(oxan-3-yl)-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;1-[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol
CID 163722455
N-(3,5-difluorophenyl)-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-piperidin-2-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-piperidin-3-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-piperidin-4-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyrrolidin-3-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine
CID 163856429
(2R)-2-(cyclopropylamino)-2-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]propan-1-ol;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[(3-methylazetidin-3-yl)oxymethyl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]methyl acetate;(2S)-2-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]-3-methylbutan-2-ol;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-[(1S)-1-[(2R)-1,1,1-trifluoropropan-2-yl]oxyethyl]quinazolin-4-amine
CID 163940542
N-[2-(azetidin-3-yloxy)ethyl]-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(morpholin-4-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[(2S)-5-(oxolan-2-yl)pentan-2-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;1-[4-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]piperidin-1-yl]ethanone
CID 163963124
2-(1,4-diazepan-1-yl)-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(methoxymethyl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-piperidin-4-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-2-N,2-N-dimethyl-4-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazoline-2,4-diamine;6-methoxy-2-(4-methylpiperazin-1-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine
CID 164038187
1-[2-(4,4-Difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]-3-methylurea;1-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]piperidin-2-amine;1-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]piperidin-3-amine;1-[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]piperidin-2-amine;1-[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]piperidin-2-ol
CID 164134518
2-[7-(3-hydroxy-3-methylbut-1-ynyl)-4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[6-(2-methoxyethoxy)-4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[7-(2-methoxyethoxy)-4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[6-(2-methoxyethoxy)-4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol;2-[4-[[(4R)-4-(2-methoxyphenyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol
CID 161217158
2-[7-(3-hydroxypropyl)-4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[7-(3-hydroxyprop-1-ynyl)-4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[6-methoxy-4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[7-methoxy-4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[6-methoxy-4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol
CID 161484457

Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-3-yloxy)ethyl]-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-(morpholin-4-ylmethyl)-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-[(2S)-5-(oxolan-2-yl)pentan-2-yl]-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-(3-propan-2-yloxypropyl)-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-propan-2-yl-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-[4-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]piperidin-1-yl]acetic acid?
The IUPAC name of N-[2-(azetidin-3-yloxy)ethyl]-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-(morpholin-4-ylmethyl)-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-[(2S)-5-(oxolan-2-yl)pentan-2-yl]-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-(3-propan-2-yloxypropyl)-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-propan-2-yl-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-[4-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]piperidin-1-yl]acetic acid (CID 163649405) is N-[2-(azetidin-3-yloxy)ethyl]-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-(morpholin-4-ylmethyl)-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-[(2S)-5-(oxolan-2-yl)pentan-2-yl]-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-(3-propan-2-yloxypropyl)-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-propan-2-yl-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-[4-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]piperidin-1-yl]acetic acid.
What is the SMILES notation for N-[2-(azetidin-3-yloxy)ethyl]-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-(morpholin-4-ylmethyl)-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-[(2S)-5-(oxolan-2-yl)pentan-2-yl]-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-(3-propan-2-yloxypropyl)-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-propan-2-yl-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-[4-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]piperidin-1-yl]acetic acid?
The canonical SMILES for N-[2-(azetidin-3-yloxy)ethyl]-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-(morpholin-4-ylmethyl)-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-[(2S)-5-(oxolan-2-yl)pentan-2-yl]-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-(3-propan-2-yloxypropyl)-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-propan-2-yl-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-[4-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]piperidin-1-yl]acetic acid is COc1cc2c(NC(C)C)nc(N3CCCC3)nc2cc1C#CCN1CCCC1.COc1cc2c(NC3CCN(CC(=O)O)CC3)nc(N3CCCC3)nc2cc1C#CCN1CCCC1.COc1cc2c(NCCCOC(C)C)nc(N3CCCC3)nc2cc1C#CCN1CCCC1.COc1cc2c(NCCOC3CNC3)nc(N3CCCC3)nc2cc1C#CCN1CCCC1.COc1cc2c(NCN3CCOCC3)nc(N3CCCC3)nc2cc1C#CCN1CCCC1.COc1cc2c(N[C@@H](C)CCCC3CCCO3)nc(N3CCCC3)nc2cc1C#CCN1CCCC1.
What is the InChIKey of N-[2-(azetidin-3-yloxy)ethyl]-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-(morpholin-4-ylmethyl)-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-[(2S)-5-(oxolan-2-yl)pentan-2-yl]-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-(3-propan-2-yloxypropyl)-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-propan-2-yl-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-[4-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]piperidin-1-yl]acetic acid?
The InChIKey is IKZCMYIVDJMEFJ-GLZPCYRESA-N. The full InChI is InChI=1S/C29H41N5O2.C27H36N6O3.C26H37N5O2.2C25H34N6O2.C23H31N5O/c1-22(10-7-12-24-13-9-19-36-24)30-28-25-21-27(35-2)23(11-8-16-33-14-3-4-15-33)20-26(25)31-29(32-28)34-17-5-6-18-34;1-36-24-18-22-23(17-20(24)7-6-12-31-10-2-3-11-31)29-27(33-13-4-5-14-33)30-26(22)28-21-8-15-32(16-9-21)19-25(34)35;1-20(2)33-17-9-11-27-25-22-19-24(32-3)21(10-8-14-30-12-4-5-13-30)18-23(22)28-26(29-25)31-15-6-7-16-31;1-32-23-16-21-22(15-19(23)7-6-11-30-9-2-3-10-30)28-25(31-12-4-5-13-31)29-24(21)27-8-14-33-20-17-26-18-20;1-32-23-18-21-22(17-20(23)7-6-10-29-8-2-3-9-29)27-25(31-11-4-5-12-31)28-24(21)26-19-30-13-15-33-16-14-30;1-17(2)24-22-19-16-21(29-3)18(9-8-12-27-10-4-5-11-27)15-20(19)25-23(26-22)28-13-6-7-14-28/h20-22,24H,3-7,9-10,12-19H2,1-2H3,(H,30,31,32);17-18,21H,2-5,8-16,19H2,1H3,(H,34,35)(H,28,29,30);18-20H,4-7,9,11-17H2,1-3H3,(H,27,28,29);15-16,20,26H,2-5,8-14,17-18H2,1H3,(H,27,28,29);17-18H,2-5,8-16,19H2,1H3,(H,26,27,28);15-17H,4-7,10-14H2,1-3H3,(H,24,25,26)/t22-,24?;;;;;/m0...../s1.
What are the key properties of N-[2-(azetidin-3-yloxy)ethyl]-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-(morpholin-4-ylmethyl)-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-[(2S)-5-(oxolan-2-yl)pentan-2-yl]-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-(3-propan-2-yloxypropyl)-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-propan-2-yl-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-[4-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]piperidin-1-yl]acetic acid?
N-[2-(azetidin-3-yloxy)ethyl]-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-(morpholin-4-ylmethyl)-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-[(2S)-5-(oxolan-2-yl)pentan-2-yl]-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-(3-propan-2-yloxypropyl)-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-propan-2-yl-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-[4-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]piperidin-1-yl]acetic acid has a molecular weight of 2730.63 g/mol, XLogP of 19.38, 44 rotatable bonds, 8 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azetidin-3-yloxy)ethyl]-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-(morpholin-4-ylmethyl)-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-[(2S)-5-(oxolan-2-yl)pentan-2-yl]-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-(3-propan-2-yloxypropyl)-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-propan-2-yl-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-[4-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]piperidin-1-yl]acetic acid is sourced from PubChem (CID 163649405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).