[2-[2-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]methyl]phenyl]sulfanylphenyl]methanol;[2-[2-[[[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]methanol;(2S)-1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]pyrrolidine-2-carboxamide;[(2S)-1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]pyrrolidin-2-yl]methanol

C134H140N22O10S5 — CID 159427781

IUPAC[2-[2-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]methyl]phenyl]sulfanylphenyl]methanol;[2-[2-[[[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]methanol;(2S)-1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]pyrrolidine-2-carboxamide;[(2S)-1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]pyrrolidin-2-yl]methanol
SMILESCN(C)[C@@H]1CCN(c2nc(NCc3ccccc3Sc3ccccc3CO)nc3ccccc23)C1.COc1cc2nc(NCc3ccccc3Sc3ccccc3CO)nc(N)c2cc1OC.NC(=O)[C@@H]1CCCN1c1nc(NCc2ccccc2Sc2ccccc2CO)nc2ccccc12.OCc1ccccc1Sc1ccccc1CNc1nc(N2CCCC(CO)C2)c2ccccc2n1.OCc1ccccc1Sc1ccccc1CNc1nc(N2CCC[C@H]2CO)c2ccccc2n1
InChIInChI=1S/C28H31N5OS.C28H30N4O2S.C27H27N5O2S.C27H28N4O2S.C24H24N4O3S/c1-32(2)22-15-16-33(18-22)27-23-11-5-6-12-24(23)30-28(31-27)29-17-20-9-3-7-13-25(20)35-26-14-8-4-10-21(26)19-34;33-18-20-8-7-15-32(17-20)27-23-11-3-4-12-24(23)30-28(31-27)29-16-21-9-1-5-13-25(21)35-26-14-6-2-10-22(26)19-34;28-25(34)22-12-7-15-32(22)26-20-10-3-4-11-21(20)30-27(31-26)29-16-18-8-1-5-13-23(18)35-24-14-6-2-9-19(24)17-33;32-17-20-9-2-6-14-25(20)34-24-13-5-1-8-19(24)16-28-27-29-23-12-4-3-11-22(23)26(30-27)31-15-7-10-21(31)18-33;1-30-19-11-17-18(12-20(19)31-2)27-24(28-23(17)25)26-13-15-7-3-5-9-21(15)32-22-10-6-4-8-16(22)14-29/h3-14,22,34H,15-19H2,1-2H3,(H,29,30,31);1-6,9-14,20,33-34H,7-8,15-19H2,(H,29,30,31);1-6,8-11,13-14,22,33H,7,12,15-17H2,(H2,28,34)(H,29,30,31);1-6,8-9,11-14,21,32-33H,7,10,15-18H2,(H,28,29,30);3-12,29H,13-14H2,1-2H3,(H3,25,26,27,28)/t22-;;22-;21-;/m1.00./s1
InChIKeyLQOXQKRXWJSMQN-GKDGTVBISA-N
MW2379.07 g/mol
LogP23.79
Rot. Bonds40

About [2-[2-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]methyl]phenyl]sulfanylphenyl]methanol;[2-[2-[[[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]methanol;(2S)-1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]pyrrolidine-2-carboxamide;[(2S)-1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]pyrrolidin-2-yl]methanol

[2-[2-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]methyl]phenyl]sulfanylphenyl]methanol;[2-[2-[[[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]methanol;(2S)-1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]pyrrolidine-2-carboxamide;[(2S)-1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 159427781) has the molecular formula C134H140N22O10S5 and a molecular weight of 2379.07 g/mol. Its IUPAC name is [2-[2-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]methyl]phenyl]sulfanylphenyl]methanol;[2-[2-[[[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]methanol;(2S)-1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]pyrrolidine-2-carboxamide;[(2S)-1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[2-[2-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]methyl]phenyl]sulfanylphenyl]methanol;[2-[2-[[[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]methanol;(2S)-1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]pyrrolidine-2-carboxamide;[(2S)-1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID159427781
Molecular FormulaC134H140N22O10S5
Molecular Weight2379.07 g/mol
Exact Mass2376.97
IUPAC Name[2-[2-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]methyl]phenyl]sulfanylphenyl]methanol;[2-[2-[[[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]methanol;(2S)-1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]pyrrolidine-2-carboxamide;[(2S)-1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]pyrrolidin-2-yl]methanol
SMILESCN(C)[C@@H]1CCN(c2nc(NCc3ccccc3Sc3ccccc3CO)nc3ccccc23)C1.COc1cc2nc(NCc3ccccc3Sc3ccccc3CO)nc(N)c2cc1OC.NC(=O)[C@@H]1CCCN1c1nc(NCc2ccccc2Sc2ccccc2CO)nc2ccccc12.OCc1ccccc1Sc1ccccc1CNc1nc(N2CCCC(CO)C2)c2ccccc2n1.OCc1ccccc1Sc1ccccc1CNc1nc(N2CCC[C@H]2CO)c2ccccc2n1
InChIInChI=1S/C28H31N5OS.C28H30N4O2S.C27H27N5O2S.C27H28N4O2S.C24H24N4O3S/c1-32(2)22-15-16-33(18-22)27-23-11-5-6-12-24(23)30-28(31-27)29-17-20-9-3-7-13-25(20)35-26-14-8-4-10-21(26)19-34;33-18-20-8-7-15-32(17-20)27-23-11-3-4-12-24(23)30-28(31-27)29-16-21-9-1-5-13-25(21)35-26-14-6-2-10-22(26)19-34;28-25(34)22-12-7-15-32(22)26-20-10-3-4-11-21(20)30-27(31-26)29-16-18-8-1-5-13-23(18)35-24-14-6-2-9-19(24)17-33;32-17-20-9-2-6-14-25(20)34-24-13-5-1-8-19(24)16-28-27-29-23-12-4-3-11-22(23)26(30-27)31-15-7-10-21(31)18-33;1-30-19-11-17-18(12-20(19)31-2)27-24(28-23(17)25)26-13-15-7-3-5-9-21(15)32-22-10-6-4-8-16(22)14-29/h3-14,22,34H,15-19H2,1-2H3,(H,29,30,31);1-6,9-14,20,33-34H,7-8,15-19H2,(H,29,30,31);1-6,8-11,13-14,22,33H,7,12,15-17H2,(H2,28,34)(H,29,30,31);1-6,8-9,11-14,21,32-33H,7,10,15-18H2,(H,28,29,30);3-12,29H,13-14H2,1-2H3,(H3,25,26,27,28)/t22-;;22-;21-;/m1.00./s1
InChIKeyLQOXQKRXWJSMQN-GKDGTVBISA-N
XLogP23.79
TPSA434.43 Ų
H-Bond Donors14
H-Bond Acceptors36
Rotatable Bonds40
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002379.07
LogP ≤ 523.79
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1036

Analyze [2-[2-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]methyl]phenyl]sulfanylphenyl]methanol;[2-[2-[[[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]methanol;(2S)-1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]pyrrolidine-2-carboxamide;[(2S)-1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]pyrrolidin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4,4-difluoropiperidin-1-yl)-4-(3-hydroxypiperidin-1-yl)-6-methoxyquinazolin-7-ol;6,7-dimethoxy-N-(oxan-3-yl)-2-pyrrolidin-1-ylquinazolin-4-amine;1-(6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-yl)piperidin-3-amine;1-(6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-yl)piperidin-3-ol;N-(1,1-dioxothian-3-yl)-6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-amine
CID 163847273
2-amino-3-[2-[5-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]thiophen-2-yl]phenyl]-N,N-dimethylpropanamide;methyl 2-[[2-[5-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]thiophen-2-yl]phenyl]methylamino]acetate
CID 135336372
[2-[2-[[[4-Amino-6-[[3-[2-[[[4-(cyclopentylamino)quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methoxy]-7-methoxyquinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol
CID 143506473
[2-[2-[[[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol;(1S,2R)-1-[[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]-6,7-dimethoxyquinazolin-4-yl]amino]-2,3-dihydro-1H-inden-2-ol;1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidine-4-carboxamide;(2S)-1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]pyrrolidine-2-carboxamide;[(2S)-1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]pyrrolidin-2-yl]methanol
CID 157752181
[2-[2-[[[4-(cyclopentylamino)-6,7-dimethoxyquinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol;(1S,2R)-1-[[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]-6,7-dimethoxyquinazolin-4-yl]amino]-2,3-dihydro-1H-inden-2-ol;1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidine-4-carboxamide
CID 157868273
[2-[2-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]methyl]phenyl]sulfanylphenyl]methanol;[2-[2-[[[4-(cyclopentylamino)-6,7-dimethoxyquinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]-piperidin-1-ylmethanone;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;[2-[2-[[[4-[4-(3H-indol-3-yl)piperidin-1-yl]quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol
CID 158425297
[2-[2-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]methyl]phenyl]sulfanylphenyl]methanol;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]-piperidin-1-ylmethanone;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;[2-[2-[[[4-[4-(3H-indol-3-yl)piperidin-1-yl]quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol
CID 158602221
[2-[2-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]methyl]phenyl]sulfanylphenyl]methanol;[2-[2-[[[4-(cyclopentylamino)-6,7-dimethoxyquinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]-piperidin-1-ylmethanone;[2-[2-[[[4-[4-(3H-indol-4-yl)piperidin-1-yl]quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol
CID 158860395
3-(3,4-dimethoxyphenyl)-3-[[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]amino]propan-1-ol;3-[[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]amino]-3-(4-methylsulfanylphenyl)propan-1-ol;(2R)-2-[[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]amino]-2-phenylethanol;(3R)-1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]pyrrolidin-3-ol
CID 159376807
6,7-dimethoxy-2-(4-methylpiperazin-1-yl)-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;6,7-dimethoxy-2-(3-methylpyrrolidin-1-yl)-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;6,7-dimethoxy-4-N-[(3S)-piperidin-3-yl]-2-N-[2-(2-propoxyethoxy)ethyl]quinazoline-2,4-diamine;2-(2-ethylpyrrolidin-1-yl)-6,7-dimethoxy-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;2-(3-ethylpyrrolidin-1-yl)-6,7-dimethoxy-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;2-N-hexyl-6,7-dimethoxy-4-N-[(3S)-piperidin-3-yl]quinazoline-2,4-diamine;6-methoxy-7-phenylmethoxy-N-[(3R)-piperidin-3-yl]-2-pyrrolidin-1-ylquinazolin-4-amine;6-methoxy-N-[(3S)-piperidin-3-yl]-7-(3-piperidin-1-ylpropoxy)-2-pyrrolidin-1-ylquinazolin-4-amine
CID 159438755
[2-[2-[[[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]methanol;(2S)-1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]pyrrolidine-2-carboxamide;[(2S)-1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]pyrrolidin-2-yl]methanol
CID 159564067
3-(1,3-benzodioxol-5-yl)-3-[[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]amino]propan-1-ol;3-(3,4-dimethoxyphenyl)-3-[[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]amino]propan-1-ol;3-[[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]amino]-3-(4-methylsulfanylphenyl)propan-1-ol;(2R)-2-[[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]amino]-2-phenylethanol;(2S)-2-[[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]amino]-3-phenylpropan-1-ol
CID 159878855

Frequently Asked Questions

What is the IUPAC name of [2-[2-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]methyl]phenyl]sulfanylphenyl]methanol;[2-[2-[[[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]methanol;(2S)-1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]pyrrolidine-2-carboxamide;[(2S)-1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [2-[2-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]methyl]phenyl]sulfanylphenyl]methanol;[2-[2-[[[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]methanol;(2S)-1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]pyrrolidine-2-carboxamide;[(2S)-1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]pyrrolidin-2-yl]methanol (CID 159427781) is [2-[2-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]methyl]phenyl]sulfanylphenyl]methanol;[2-[2-[[[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]methanol;(2S)-1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]pyrrolidine-2-carboxamide;[(2S)-1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [2-[2-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]methyl]phenyl]sulfanylphenyl]methanol;[2-[2-[[[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]methanol;(2S)-1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]pyrrolidine-2-carboxamide;[(2S)-1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [2-[2-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]methyl]phenyl]sulfanylphenyl]methanol;[2-[2-[[[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]methanol;(2S)-1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]pyrrolidine-2-carboxamide;[(2S)-1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]pyrrolidin-2-yl]methanol is CN(C)[C@@H]1CCN(c2nc(NCc3ccccc3Sc3ccccc3CO)nc3ccccc23)C1.COc1cc2nc(NCc3ccccc3Sc3ccccc3CO)nc(N)c2cc1OC.NC(=O)[C@@H]1CCCN1c1nc(NCc2ccccc2Sc2ccccc2CO)nc2ccccc12.OCc1ccccc1Sc1ccccc1CNc1nc(N2CCCC(CO)C2)c2ccccc2n1.OCc1ccccc1Sc1ccccc1CNc1nc(N2CCC[C@H]2CO)c2ccccc2n1.
What is the InChIKey of [2-[2-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]methyl]phenyl]sulfanylphenyl]methanol;[2-[2-[[[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]methanol;(2S)-1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]pyrrolidine-2-carboxamide;[(2S)-1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is LQOXQKRXWJSMQN-GKDGTVBISA-N. The full InChI is InChI=1S/C28H31N5OS.C28H30N4O2S.C27H27N5O2S.C27H28N4O2S.C24H24N4O3S/c1-32(2)22-15-16-33(18-22)27-23-11-5-6-12-24(23)30-28(31-27)29-17-20-9-3-7-13-25(20)35-26-14-8-4-10-21(26)19-34;33-18-20-8-7-15-32(17-20)27-23-11-3-4-12-24(23)30-28(31-27)29-16-21-9-1-5-13-25(21)35-26-14-6-2-10-22(26)19-34;28-25(34)22-12-7-15-32(22)26-20-10-3-4-11-21(20)30-27(31-26)29-16-18-8-1-5-13-23(18)35-24-14-6-2-9-19(24)17-33;32-17-20-9-2-6-14-25(20)34-24-13-5-1-8-19(24)16-28-27-29-23-12-4-3-11-22(23)26(30-27)31-15-7-10-21(31)18-33;1-30-19-11-17-18(12-20(19)31-2)27-24(28-23(17)25)26-13-15-7-3-5-9-21(15)32-22-10-6-4-8-16(22)14-29/h3-14,22,34H,15-19H2,1-2H3,(H,29,30,31);1-6,9-14,20,33-34H,7-8,15-19H2,(H,29,30,31);1-6,8-11,13-14,22,33H,7,12,15-17H2,(H2,28,34)(H,29,30,31);1-6,8-9,11-14,21,32-33H,7,10,15-18H2,(H,28,29,30);3-12,29H,13-14H2,1-2H3,(H3,25,26,27,28)/t22-;;22-;21-;/m1.00./s1.
What are the key properties of [2-[2-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]methyl]phenyl]sulfanylphenyl]methanol;[2-[2-[[[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]methanol;(2S)-1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]pyrrolidine-2-carboxamide;[(2S)-1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]pyrrolidin-2-yl]methanol?
[2-[2-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]methyl]phenyl]sulfanylphenyl]methanol;[2-[2-[[[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]methanol;(2S)-1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]pyrrolidine-2-carboxamide;[(2S)-1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 2379.07 g/mol, XLogP of 23.79, 40 rotatable bonds, 14 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]methyl]phenyl]sulfanylphenyl]methanol;[2-[2-[[[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]methanol;(2S)-1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]pyrrolidine-2-carboxamide;[(2S)-1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 159427781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).