(2S)-1-(2-chloroquinazolin-4-yl)pyrrolidine-2-carboxamide;2,4-dichloroquinazoline;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]quinazolin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine

C63H69Cl3N18O7 — CID 167559747

IUPAC(2S)-1-(2-chloroquinazolin-4-yl)pyrrolidine-2-carboxamide;2,4-dichloroquinazoline;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]quinazolin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
SMILESCOc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CCC[C@H]4C(N)=O)c4ccccc4n3)c2)cc(C)c1C.Clc1nc(Cl)c2ccccc2n1.NC(=O)[C@@H]1CCCN1.NC(=O)[C@@H]1CCCN1c1nc(Cl)nc2ccccc12
InChIInChI=1S/C25H27N7O2.C13H13ClN4O.C12H15N3O3.C8H4Cl2N2.C5H10N2O/c1-15-11-17(12-21(34-3)16(15)2)31-13-22(27-14-31)29-25-28-19-8-5-4-7-18(19)24(30-25)32-10-6-9-20(32)23(26)33;14-13-16-9-5-2-1-4-8(9)12(17-13)18-7-3-6-10(18)11(15)19;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;9-7-5-3-1-2-4-6(5)11-8(10)12-7;6-5(8)4-2-1-3-7-4/h4-5,7-8,11-14,20H,6,9-10H2,1-3H3,(H2,26,33)(H,28,29,30);1-2,4-5,10H,3,6-7H2,(H2,15,19);4-7H,13H2,1-3H3;1-4H;4,7H,1-3H2,(H2,6,8)/t20-;10-;;;4-/m00..0/s1
InChIKeyDMLIAXBRQLDHJD-KDYIPNAWSA-N
MW1296.72 g/mol
LogP9.02
Rot. Bonds13

About (2S)-1-(2-chloroquinazolin-4-yl)pyrrolidine-2-carboxamide;2,4-dichloroquinazoline;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]quinazolin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine

(2S)-1-(2-chloroquinazolin-4-yl)pyrrolidine-2-carboxamide;2,4-dichloroquinazoline;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]quinazolin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine (PubChem CID 167559747) has the molecular formula C63H69Cl3N18O7 and a molecular weight of 1296.72 g/mol. Its IUPAC name is (2S)-1-(2-chloroquinazolin-4-yl)pyrrolidine-2-carboxamide;2,4-dichloroquinazoline;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]quinazolin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine.

Molecular Properties

Compound Name(2S)-1-(2-chloroquinazolin-4-yl)pyrrolidine-2-carboxamide;2,4-dichloroquinazoline;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]quinazolin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
PubChem CID167559747
Molecular FormulaC63H69Cl3N18O7
Molecular Weight1296.72 g/mol
Exact Mass1294.47
IUPAC Name(2S)-1-(2-chloroquinazolin-4-yl)pyrrolidine-2-carboxamide;2,4-dichloroquinazoline;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]quinazolin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
SMILESCOc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CCC[C@H]4C(N)=O)c4ccccc4n3)c2)cc(C)c1C.Clc1nc(Cl)c2ccccc2n1.NC(=O)[C@@H]1CCCN1.NC(=O)[C@@H]1CCCN1c1nc(Cl)nc2ccccc12
InChIInChI=1S/C25H27N7O2.C13H13ClN4O.C12H15N3O3.C8H4Cl2N2.C5H10N2O/c1-15-11-17(12-21(34-3)16(15)2)31-13-22(27-14-31)29-25-28-19-8-5-4-7-18(19)24(30-25)32-10-6-9-20(32)23(26)33;14-13-16-9-5-2-1-4-8(9)12(17-13)18-7-3-6-10(18)11(15)19;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;9-7-5-3-1-2-4-6(5)11-8(10)12-7;6-5(8)4-2-1-3-7-4/h4-5,7-8,11-14,20H,6,9-10H2,1-3H3,(H2,26,33)(H,28,29,30);1-2,4-5,10H,3,6-7H2,(H2,15,19);4-7H,13H2,1-3H3;1-4H;4,7H,1-3H2,(H2,6,8)/t20-;10-;;;4-/m00..0/s1
InChIKeyDMLIAXBRQLDHJD-KDYIPNAWSA-N
XLogP9.02
TPSA335.73 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds13
Heavy Atoms91
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001296.72
LogP ≤ 59.02
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Analyze (2S)-1-(2-chloroquinazolin-4-yl)pyrrolidine-2-carboxamide;2,4-dichloroquinazoline;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]quinazolin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine with MolForge

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Related Compounds

[(2S)-1-[2-chloro-7-(trifluoromethyl)quinazolin-4-yl]pyrrolidin-2-yl]methanol;2,4-dichloro-7-(trifluoromethyl)quinazoline;[(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-7-(trifluoromethyl)quinazolin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
CID 167590701
tert-butyl 2-chloro-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;tert-butyl 2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;tert-butyl 4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;dichloromethane;[(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;2,2,2-trifluoroacetic acid;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
CID 167590725
tert-butyl 4-[(2R)-2-carbamoylcyclopentyl]-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;tert-butyl 4-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;tert-butyl 2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;dichloromethane;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
CID 167594779
2-chloro-4-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-4-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;trifluoromethylcyclopentane;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
CID 167666835
2-chloro-7-(trifluoromethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine;(2R)-pyrrolidine-2-carboxamide;(2R)-1-[7-(trifluoromethyl)-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinazolin-2-yl]pyrrolidine-2-carboxamide
CID 167675042
2-chloro-7-(trifluoromethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine;(2S)-pyrrolidine-2-carboxamide;(2S)-1-[7-(trifluoromethyl)-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinazolin-2-yl]pyrrolidine-2-carboxamide
CID 167675043
2-chloro-7-(trifluoromethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine;2,4-dichloro-7-(trifluoromethyl)quinazoline;[(2S)-pyrrolidin-2-yl]methanol;[(2S)-1-[7-(trifluoromethyl)-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinazolin-2-yl]pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
CID 167702552
tert-butyl 4-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate;tert-butyl 4-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate;tert-butyl 2,4-dichloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate;dichloromethane;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
CID 167702723
2-chloro-5-fluoro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine;2,4-dichloro-5-fluoroquinazoline;(2S)-1-[5-fluoro-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinazolin-2-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
CID 167532113
6-chloro-1,3-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine;4,6-dichloro-1,3-dimethylpyrazolo[5,4-d]pyrimidine;(2S)-1-[1,3-dimethyl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrazolo[3,4-d]pyrimidin-6-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
CID 167533799
(2S)-1-(2-chloropyrido[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide;2,4-dichloropyrido[2,3-d]pyrimidine;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrido[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
CID 167536535
2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-5,6,7,8-tetrahydroquinazolin-4-amine;(2R)-pyrrolidine-2-carboxamide;(2R)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-5,6,7,8-tetrahydroquinazolin-2-yl]pyrrolidine-2-carboxamide
CID 167537321

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-chloroquinazolin-4-yl)pyrrolidine-2-carboxamide;2,4-dichloroquinazoline;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]quinazolin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?
The IUPAC name of (2S)-1-(2-chloroquinazolin-4-yl)pyrrolidine-2-carboxamide;2,4-dichloroquinazoline;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]quinazolin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine (CID 167559747) is (2S)-1-(2-chloroquinazolin-4-yl)pyrrolidine-2-carboxamide;2,4-dichloroquinazoline;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]quinazolin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine.
What is the SMILES notation for (2S)-1-(2-chloroquinazolin-4-yl)pyrrolidine-2-carboxamide;2,4-dichloroquinazoline;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]quinazolin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?
The canonical SMILES for (2S)-1-(2-chloroquinazolin-4-yl)pyrrolidine-2-carboxamide;2,4-dichloroquinazoline;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]quinazolin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine is COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CCC[C@H]4C(N)=O)c4ccccc4n3)c2)cc(C)c1C.Clc1nc(Cl)c2ccccc2n1.NC(=O)[C@@H]1CCCN1.NC(=O)[C@@H]1CCCN1c1nc(Cl)nc2ccccc12.
What is the InChIKey of (2S)-1-(2-chloroquinazolin-4-yl)pyrrolidine-2-carboxamide;2,4-dichloroquinazoline;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]quinazolin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?
The InChIKey is DMLIAXBRQLDHJD-KDYIPNAWSA-N. The full InChI is InChI=1S/C25H27N7O2.C13H13ClN4O.C12H15N3O3.C8H4Cl2N2.C5H10N2O/c1-15-11-17(12-21(34-3)16(15)2)31-13-22(27-14-31)29-25-28-19-8-5-4-7-18(19)24(30-25)32-10-6-9-20(32)23(26)33;14-13-16-9-5-2-1-4-8(9)12(17-13)18-7-3-6-10(18)11(15)19;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;9-7-5-3-1-2-4-6(5)11-8(10)12-7;6-5(8)4-2-1-3-7-4/h4-5,7-8,11-14,20H,6,9-10H2,1-3H3,(H2,26,33)(H,28,29,30);1-2,4-5,10H,3,6-7H2,(H2,15,19);4-7H,13H2,1-3H3;1-4H;4,7H,1-3H2,(H2,6,8)/t20-;10-;;;4-/m00..0/s1.
What are the key properties of (2S)-1-(2-chloroquinazolin-4-yl)pyrrolidine-2-carboxamide;2,4-dichloroquinazoline;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]quinazolin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?
(2S)-1-(2-chloroquinazolin-4-yl)pyrrolidine-2-carboxamide;2,4-dichloroquinazoline;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]quinazolin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine has a molecular weight of 1296.72 g/mol, XLogP of 9.02, 13 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-chloroquinazolin-4-yl)pyrrolidine-2-carboxamide;2,4-dichloroquinazoline;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]quinazolin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine is sourced from PubChem (CID 167559747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).