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

C103H112N20O10 — CID 161484457

IUPAC2-[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
SMILESCOc1ccc2c(N[C@H]3CCNC3)nc(-c3cc(C)ccc3O)nc2c1.COc1ccc2nc(-c3cc(C)ccc3O)nc(N[C@H]3CCNC3)c2c1.COc1ccc2nc(-c3ccccc3O)nc(N[C@H]3CCNC3)c2c1.Cc1ccc(O)c(-c2nc(N[C@H]3CCNC3)c3ccc(C#CCO)cc3n2)c1.Cc1ccc(O)c(-c2nc(N[C@H]3CCNC3)c3ccc(CCCO)cc3n2)c1
InChIInChI=1S/C22H26N4O2.C22H22N4O2.2C20H22N4O2.C19H20N4O2/c2*1-14-4-7-20(28)18(11-14)22-25-19-12-15(3-2-10-27)5-6-17(19)21(26-22)24-16-8-9-23-13-16;1-12-3-6-18(25)16(9-12)20-23-17-5-4-14(26-2)10-15(17)19(24-20)22-13-7-8-21-11-13;1-12-3-6-18(25)16(9-12)20-23-17-10-14(26-2)4-5-15(17)19(24-20)22-13-7-8-21-11-13;1-25-13-6-7-16-15(10-13)19(21-12-8-9-20-11-12)23-18(22-16)14-4-2-3-5-17(14)24/h4-7,11-12,16,23,27-28H,2-3,8-10,13H2,1H3,(H,24,25,26);4-7,11-12,16,23,27-28H,8-10,13H2,1H3,(H,24,25,26);2*3-6,9-10,13,21,25H,7-8,11H2,1-2H3,(H,22,23,24);2-7,10,12,20,24H,8-9,11H2,1H3,(H,21,22,23)/t2*16-;2*13-;12-/m00000/s1
InChIKeyWEUGKHOVGNLENK-FVFYFWATSA-N
MW1790.16 g/mol
LogP14.41
Rot. Bonds21

About 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

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 (PubChem CID 161484457) has the molecular formula C103H112N20O10 and a molecular weight of 1790.16 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID161484457
Molecular FormulaC103H112N20O10
Molecular Weight1790.16 g/mol
Exact Mass1788.89
IUPAC Name2-[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
SMILESCOc1ccc2c(N[C@H]3CCNC3)nc(-c3cc(C)ccc3O)nc2c1.COc1ccc2nc(-c3cc(C)ccc3O)nc(N[C@H]3CCNC3)c2c1.COc1ccc2nc(-c3ccccc3O)nc(N[C@H]3CCNC3)c2c1.Cc1ccc(O)c(-c2nc(N[C@H]3CCNC3)c3ccc(C#CCO)cc3n2)c1.Cc1ccc(O)c(-c2nc(N[C@H]3CCNC3)c3ccc(CCCO)cc3n2)c1
InChIInChI=1S/C22H26N4O2.C22H22N4O2.2C20H22N4O2.C19H20N4O2/c2*1-14-4-7-20(28)18(11-14)22-25-19-12-15(3-2-10-27)5-6-17(19)21(26-22)24-16-8-9-23-13-16;1-12-3-6-18(25)16(9-12)20-23-17-5-4-14(26-2)10-15(17)19(24-20)22-13-7-8-21-11-13;1-12-3-6-18(25)16(9-12)20-23-17-10-14(26-2)4-5-15(17)19(24-20)22-13-7-8-21-11-13;1-25-13-6-7-16-15(10-13)19(21-12-8-9-20-11-12)23-18(22-16)14-4-2-3-5-17(14)24/h4-7,11-12,16,23,27-28H,2-3,8-10,13H2,1H3,(H,24,25,26);4-7,11-12,16,23,27-28H,8-10,13H2,1H3,(H,24,25,26);2*3-6,9-10,13,21,25H,7-8,11H2,1-2H3,(H,22,23,24);2-7,10,12,20,24H,8-9,11H2,1H3,(H,21,22,23)/t2*16-;2*13-;12-/m00000/s1
InChIKeyWEUGKHOVGNLENK-FVFYFWATSA-N
XLogP14.41
TPSA418.50 Ų
H-Bond Donors17
H-Bond Acceptors30
Rotatable Bonds21
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001790.16
LogP ≤ 514.41
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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
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
N-(3,5-difluorophenyl)-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;(1S,2S)-1-(dimethylamino)-2-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]propan-1-ol;6-methoxy-N-(pyridin-2-ylmethyl)-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]acetonitrile;2,2,2-trifluoro-1-[[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]amino]ethanol
CID 164101832
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
3-ethyl-1-propan-2-ylisoquinoline;2-methoxy-1-propan-2-ylnaphthalene;3-methoxy-1-propan-2-ylnaphthalene;2-methylidene-8-propan-2-yl-1H-quinoline;8-methyl-1-propan-2-ylisoquinolin-3-amine;1-methyl-5-propan-2-ylnaphthalene;1-methyl-8-propan-2-ylnaphthalene;6-methyl-1-propan-2-ylnaphthalene;7-methyl-1-propan-2-ylnaphthalene;1-propan-2-ylisoquinolin-3-amine;bis(1-propan-2-ylnaphthalene);1-propan-2-ylnaphthalen-2-ol;bis(4-propan-2-ylnaphthalen-2-ol);4-propan-2-ylquinazolin-2-amine;4-propan-2-ylquinolin-2-amine;8-propan-2-ylquinoline;5-propan-2-ylquinolin-7-ol;8-propan-2-ylquinolin-6-ol;4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 157329463
(2S)-2-[(2-amino-6-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-8-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-5-methoxyquinazolin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-6-methoxyquinazolin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]pentan-1-ol;(3S)-3-[(2-amino-5-methylquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-6-methylquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-7-methylquinazolin-4-yl)amino]hexan-1-ol;sulfane
CID 157405927
2-[4-[[(4R)-4-(3-chlorophenyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[4-[[(3S,5R)-5-(hydroxymethyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[6-methoxy-7-(2-methoxyethoxy)-4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[6-methoxy-7-(2-methoxyethoxy)-4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol
CID 157975547
[4-[3-[[7-(hydroxymethyl)-6-methoxy-2-methylquinazolin-4-yl]amino]propyl]-7-methoxy-2-methylquinazolin-6-yl]methanol;2-methyl-4-[[3-[(2-methylquinazolin-4-yl)methyl]phenyl]methyl]quinazoline;2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;1,4-xylene
CID 158037132
4-Carbazol-9-yl-7-methylquinazolin-6-ol;9-(2-carbazol-9-yl-7-methylquinazolin-4-yl)carbazole;9-(2-carbazol-9-yl-7-phenoxyquinazolin-4-yl)carbazole;4-carbazol-9-ylquinazolin-7-ol;9-(2-methylquinazolin-4-yl)carbazole
CID 158754814
4-amino-2H-pyrrolo[2,3-c]quinolin-9-ol;2-(ethoxymethyl)-1-methyl-9-(2-morpholin-4-ylethoxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-(oxolan-3-yloxy)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-piperidin-4-yloxyimidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-pyrrolidin-3-yloxyimidazo[4,5-c]quinolin-4-amine
CID 159110651
(3R)-4-[[2-(2-hydroxy-5-methylphenyl)quinazolin-4-yl]amino]pyrrolidine-3-carboxylic acid;2-[4-[[(4R)-4-(hydroxymethyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[4-[[(4R)-4-(3-methoxyphenyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[4-[[(4R)-4-(4-methoxyphenyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol
CID 159302276

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc2c(N[C@H]3CCNC3)nc(-c3cc(C)ccc3O)nc2c1.COc1ccc2nc(-c3cc(C)ccc3O)nc(N[C@H]3CCNC3)c2c1.COc1ccc2nc(-c3ccccc3O)nc(N[C@H]3CCNC3)c2c1.Cc1ccc(O)c(-c2nc(N[C@H]3CCNC3)c3ccc(C#CCO)cc3n2)c1.Cc1ccc(O)c(-c2nc(N[C@H]3CCNC3)c3ccc(CCCO)cc3n2)c1.
What is the InChIKey of 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?
The InChIKey is WEUGKHOVGNLENK-FVFYFWATSA-N. The full InChI is InChI=1S/C22H26N4O2.C22H22N4O2.2C20H22N4O2.C19H20N4O2/c2*1-14-4-7-20(28)18(11-14)22-25-19-12-15(3-2-10-27)5-6-17(19)21(26-22)24-16-8-9-23-13-16;1-12-3-6-18(25)16(9-12)20-23-17-5-4-14(26-2)10-15(17)19(24-20)22-13-7-8-21-11-13;1-12-3-6-18(25)16(9-12)20-23-17-10-14(26-2)4-5-15(17)19(24-20)22-13-7-8-21-11-13;1-25-13-6-7-16-15(10-13)19(21-12-8-9-20-11-12)23-18(22-16)14-4-2-3-5-17(14)24/h4-7,11-12,16,23,27-28H,2-3,8-10,13H2,1H3,(H,24,25,26);4-7,11-12,16,23,27-28H,8-10,13H2,1H3,(H,24,25,26);2*3-6,9-10,13,21,25H,7-8,11H2,1-2H3,(H,22,23,24);2-7,10,12,20,24H,8-9,11H2,1H3,(H,21,22,23)/t2*16-;2*13-;12-/m00000/s1.
What are the key properties of 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?
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 has a molecular weight of 1790.16 g/mol, XLogP of 14.41, 21 rotatable bonds, 17 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161484457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).