(5R)-5-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]hexan-1-ol;[(2R,5R)-4-[[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]methyl]-5-methylmorpholin-2-yl]methanol;4-[2-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]propyl]cyclohexan-1-ol;N-[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]cyclopropanecarboxamide

C106H145N21O9 — CID 163614242

IUPAC(5R)-5-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]hexan-1-ol;[(2R,5R)-4-[[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]methyl]-5-methylmorpholin-2-yl]methanol;4-[2-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]propyl]cyclohexan-1-ol;N-[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]cyclopropanecarboxamide
SMILESCOc1cc2c(NC(=O)C3CC3)nc(N3CCCC3)nc2cc1C#CCN1CCCC1.COc1cc2c(NC(C)CC3CCC(O)CC3)nc(N3CCCC3)nc2cc1C#CCN1CCCC1.COc1cc2c(NCN3C[C@H](CO)OC[C@H]3C)nc(N3CCCC3)nc2cc1C#CCN1CCCC1.COc1cc2c(N[C@H](C)CCCCO)nc(N3CCCC3)nc2cc1C#CCN1CCCC1
InChIInChI=1S/C29H41N5O2.C27H38N6O3.C26H37N5O2.C24H29N5O2/c1-21(18-22-9-11-24(35)12-10-22)30-28-25-20-27(36-2)23(8-7-15-33-13-3-4-14-33)19-26(25)31-29(32-28)34-16-5-6-17-34;1-20-18-36-22(17-34)16-33(20)19-28-26-23-15-25(35-2)21(8-7-11-31-9-3-4-10-31)14-24(23)29-27(30-26)32-12-5-6-13-32;1-20(10-3-8-17-32)27-25-22-19-24(33-2)21(11-9-14-30-12-4-5-13-30)18-23(22)28-26(29-25)31-15-6-7-16-31;1-31-21-16-19-20(15-18(21)7-6-12-28-10-2-3-11-28)25-24(29-13-4-5-14-29)27-22(19)26-23(30)17-8-9-17/h19-22,24,35H,3-6,9-18H2,1-2H3,(H,30,31,32);14-15,20,22,34H,3-6,9-13,16-19H2,1-2H3,(H,28,29,30);18-20,32H,3-8,10,12-17H2,1-2H3,(H,27,28,29);15-17H,2-5,8-14H2,1H3,(H,25,26,27,30)/t;20-,22-;20-;/m.11./s1
InChIKeyHIPMXMVVSUZQLB-UIJZVIJSSA-N
MW1857.46 g/mol
LogP13.25
Rot. Bonds28

About (5R)-5-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]hexan-1-ol;[(2R,5R)-4-[[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]methyl]-5-methylmorpholin-2-yl]methanol;4-[2-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]propyl]cyclohexan-1-ol;N-[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]cyclopropanecarboxamide

(5R)-5-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]hexan-1-ol;[(2R,5R)-4-[[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]methyl]-5-methylmorpholin-2-yl]methanol;4-[2-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]propyl]cyclohexan-1-ol;N-[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]cyclopropanecarboxamide (PubChem CID 163614242) has the molecular formula C106H145N21O9 and a molecular weight of 1857.46 g/mol. Its IUPAC name is (5R)-5-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]hexan-1-ol;[(2R,5R)-4-[[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]methyl]-5-methylmorpholin-2-yl]methanol;4-[2-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]propyl]cyclohexan-1-ol;N-[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound Name(5R)-5-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]hexan-1-ol;[(2R,5R)-4-[[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]methyl]-5-methylmorpholin-2-yl]methanol;4-[2-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]propyl]cyclohexan-1-ol;N-[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]cyclopropanecarboxamide
PubChem CID163614242
Molecular FormulaC106H145N21O9
Molecular Weight1857.46 g/mol
Exact Mass1856.15
IUPAC Name(5R)-5-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]hexan-1-ol;[(2R,5R)-4-[[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]methyl]-5-methylmorpholin-2-yl]methanol;4-[2-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]propyl]cyclohexan-1-ol;N-[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]cyclopropanecarboxamide
SMILESCOc1cc2c(NC(=O)C3CC3)nc(N3CCCC3)nc2cc1C#CCN1CCCC1.COc1cc2c(NC(C)CC3CCC(O)CC3)nc(N3CCCC3)nc2cc1C#CCN1CCCC1.COc1cc2c(NCN3C[C@H](CO)OC[C@H]3C)nc(N3CCCC3)nc2cc1C#CCN1CCCC1.COc1cc2c(N[C@H](C)CCCCO)nc(N3CCCC3)nc2cc1C#CCN1CCCC1
InChIInChI=1S/C29H41N5O2.C27H38N6O3.C26H37N5O2.C24H29N5O2/c1-21(18-22-9-11-24(35)12-10-22)30-28-25-20-27(36-2)23(8-7-15-33-13-3-4-14-33)19-26(25)31-29(32-28)34-16-5-6-17-34;1-20-18-36-22(17-34)16-33(20)19-28-26-23-15-25(35-2)21(8-7-11-31-9-3-4-10-31)14-24(23)29-27(30-26)32-12-5-6-13-32;1-20(10-3-8-17-32)27-25-22-19-24(33-2)21(11-9-14-30-12-4-5-13-30)18-23(22)28-26(29-25)31-15-6-7-16-31;1-31-21-16-19-20(15-18(21)7-6-12-28-10-2-3-11-28)25-24(29-13-4-5-14-29)27-22(19)26-23(30)17-8-9-17/h19-22,24,35H,3-6,9-18H2,1-2H3,(H,30,31,32);14-15,20,22,34H,3-6,9-13,16-19H2,1-2H3,(H,28,29,30);18-20,32H,3-8,10,12-17H2,1-2H3,(H,27,28,29);15-17H,2-5,8-14H2,1H3,(H,25,26,27,30)/t;20-,22-;20-;/m.11./s1
InChIKeyHIPMXMVVSUZQLB-UIJZVIJSSA-N
XLogP13.25
TPSA304.31 Ų
H-Bond Donors7
H-Bond Acceptors29
Rotatable Bonds28
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001857.46
LogP ≤ 513.25
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze (5R)-5-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]hexan-1-ol;[(2R,5R)-4-[[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]methyl]-5-methylmorpholin-2-yl]methanol;4-[2-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]propyl]cyclohexan-1-ol;N-[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]cyclopropanecarboxamide with MolForge

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Related Compounds

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
6-methoxy-N-(oxan-3-yl)-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine
CID 163722458
2-(azetidin-1-yl)-N-(1,1-dioxothian-4-yl)-6-methoxy-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine
CID 163855179
2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylprop-1-ynyl)-N-(thian-4-yl)quinazolin-4-amine
CID 169082820
N-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 165146468
6-methoxy-2-piperidin-1-yl-7-(4-piperidin-1-ylbut-1-ynyl)-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine
CID 162761687
7-[5-(4,5-dimethylazepan-1-yl)pent-1-ynyl]-6-methoxy-2-piperidin-1-yl-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine
CID 170126022
N-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]-5-methyl-1,3-oxazol-2-amine
CID 165146437
6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)-N-(1H-pyrrol-3-yl)quinazolin-4-amine
CID 163665863
2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyridin-2-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine
CID 163840788
6-methoxy-7-[4-(4-methylpiperidin-1-yl)but-1-ynyl]-2-piperidin-1-yl-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine
CID 162761801
N-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]-5-methyl-1,3-thiazol-2-amine
CID 165146419

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]hexan-1-ol;[(2R,5R)-4-[[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]methyl]-5-methylmorpholin-2-yl]methanol;4-[2-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]propyl]cyclohexan-1-ol;N-[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]cyclopropanecarboxamide?
The IUPAC name of (5R)-5-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]hexan-1-ol;[(2R,5R)-4-[[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]methyl]-5-methylmorpholin-2-yl]methanol;4-[2-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]propyl]cyclohexan-1-ol;N-[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]cyclopropanecarboxamide (CID 163614242) is (5R)-5-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]hexan-1-ol;[(2R,5R)-4-[[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]methyl]-5-methylmorpholin-2-yl]methanol;4-[2-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]propyl]cyclohexan-1-ol;N-[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for (5R)-5-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]hexan-1-ol;[(2R,5R)-4-[[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]methyl]-5-methylmorpholin-2-yl]methanol;4-[2-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]propyl]cyclohexan-1-ol;N-[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for (5R)-5-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]hexan-1-ol;[(2R,5R)-4-[[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]methyl]-5-methylmorpholin-2-yl]methanol;4-[2-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]propyl]cyclohexan-1-ol;N-[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]cyclopropanecarboxamide is COc1cc2c(NC(=O)C3CC3)nc(N3CCCC3)nc2cc1C#CCN1CCCC1.COc1cc2c(NC(C)CC3CCC(O)CC3)nc(N3CCCC3)nc2cc1C#CCN1CCCC1.COc1cc2c(NCN3C[C@H](CO)OC[C@H]3C)nc(N3CCCC3)nc2cc1C#CCN1CCCC1.COc1cc2c(N[C@H](C)CCCCO)nc(N3CCCC3)nc2cc1C#CCN1CCCC1.
What is the InChIKey of (5R)-5-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]hexan-1-ol;[(2R,5R)-4-[[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]methyl]-5-methylmorpholin-2-yl]methanol;4-[2-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]propyl]cyclohexan-1-ol;N-[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]cyclopropanecarboxamide?
The InChIKey is HIPMXMVVSUZQLB-UIJZVIJSSA-N. The full InChI is InChI=1S/C29H41N5O2.C27H38N6O3.C26H37N5O2.C24H29N5O2/c1-21(18-22-9-11-24(35)12-10-22)30-28-25-20-27(36-2)23(8-7-15-33-13-3-4-14-33)19-26(25)31-29(32-28)34-16-5-6-17-34;1-20-18-36-22(17-34)16-33(20)19-28-26-23-15-25(35-2)21(8-7-11-31-9-3-4-10-31)14-24(23)29-27(30-26)32-12-5-6-13-32;1-20(10-3-8-17-32)27-25-22-19-24(33-2)21(11-9-14-30-12-4-5-13-30)18-23(22)28-26(29-25)31-15-6-7-16-31;1-31-21-16-19-20(15-18(21)7-6-12-28-10-2-3-11-28)25-24(29-13-4-5-14-29)27-22(19)26-23(30)17-8-9-17/h19-22,24,35H,3-6,9-18H2,1-2H3,(H,30,31,32);14-15,20,22,34H,3-6,9-13,16-19H2,1-2H3,(H,28,29,30);18-20,32H,3-8,10,12-17H2,1-2H3,(H,27,28,29);15-17H,2-5,8-14H2,1H3,(H,25,26,27,30)/t;20-,22-;20-;/m.11./s1.
What are the key properties of (5R)-5-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]hexan-1-ol;[(2R,5R)-4-[[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]methyl]-5-methylmorpholin-2-yl]methanol;4-[2-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]propyl]cyclohexan-1-ol;N-[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]cyclopropanecarboxamide?
(5R)-5-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]hexan-1-ol;[(2R,5R)-4-[[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]methyl]-5-methylmorpholin-2-yl]methanol;4-[2-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]propyl]cyclohexan-1-ol;N-[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]cyclopropanecarboxamide has a molecular weight of 1857.46 g/mol, XLogP of 13.25, 28 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]hexan-1-ol;[(2R,5R)-4-[[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]methyl]-5-methylmorpholin-2-yl]methanol;4-[2-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]propyl]cyclohexan-1-ol;N-[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 163614242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).