3-(3-chloro-5-methylphenyl)-6-(4-fluoro-2-methylphenyl)-N,7-dimethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]-4H-quinazoline-4-carboxamide

C30H32ClFN4O — CID 140762561

IUPAC3-(3-chloro-5-methylphenyl)-6-(4-fluoro-2-methylphenyl)-N,7-dimethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]-4H-quinazoline-4-carboxamide
SMILESCc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4ccc(F)cc4C)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1
InChIInChI=1S/C30H32ClFN4O/c1-18-10-21(31)14-24(11-18)36-17-34-28-13-20(3)26(25-8-7-22(32)12-19(25)2)15-27(28)29(36)30(37)35(4)16-23-6-5-9-33-23/h7-8,10-15,17,23,29,33H,5-6,9,16H2,1-4H3/t23-,29?/m0/s1
InChIKeyCUQDPLGUFZFLEZ-QASNXKAYSA-N
MW519.06 g/mol
LogP6.50
Rot. Bonds5

About 3-(3-chloro-5-methylphenyl)-6-(4-fluoro-2-methylphenyl)-N,7-dimethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]-4H-quinazoline-4-carboxamide

3-(3-chloro-5-methylphenyl)-6-(4-fluoro-2-methylphenyl)-N,7-dimethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]-4H-quinazoline-4-carboxamide (PubChem CID 140762561) has the molecular formula C30H32ClFN4O and a molecular weight of 519.06 g/mol. Its IUPAC name is 3-(3-chloro-5-methylphenyl)-6-(4-fluoro-2-methylphenyl)-N,7-dimethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]-4H-quinazoline-4-carboxamide.

Molecular Properties

Compound Name3-(3-chloro-5-methylphenyl)-6-(4-fluoro-2-methylphenyl)-N,7-dimethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]-4H-quinazoline-4-carboxamide
PubChem CID140762561
Molecular FormulaC30H32ClFN4O
Molecular Weight519.06 g/mol
Exact Mass518.22
IUPAC Name3-(3-chloro-5-methylphenyl)-6-(4-fluoro-2-methylphenyl)-N,7-dimethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]-4H-quinazoline-4-carboxamide
SMILESCc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4ccc(F)cc4C)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1
InChIInChI=1S/C30H32ClFN4O/c1-18-10-21(31)14-24(11-18)36-17-34-28-13-20(3)26(25-8-7-22(32)12-19(25)2)15-27(28)29(36)30(37)35(4)16-23-6-5-9-33-23/h7-8,10-15,17,23,29,33H,5-6,9,16H2,1-4H3/t23-,29?/m0/s1
InChIKeyCUQDPLGUFZFLEZ-QASNXKAYSA-N
XLogP6.50
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.06
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-chloro-5-methylphenyl)-6-(4-fluoro-2-methylphenyl)-N,7-dimethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]-4H-quinazoline-4-carboxamide 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

6-(5-carbamoyl-2-chlorophenyl)-3-(3-chloro-5-methylphenyl)-N,7-dimethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]-4H-quinazoline-4-carboxamide
CID 140762556
3-(3-chloro-5-methylphenyl)-6-[3-(methanesulfonamido)phenyl]-N,7-dimethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]-4H-quinazoline-4-carboxamide
CID 140762484
3-(3-chloro-5-methylphenyl)-6-[3-cyano-5-(trifluoromethyl)phenyl]-N,7-dimethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]-4H-quinazoline-4-carboxamide
CID 140762511
3-(3-chloro-5-methylphenyl)-6-(3-hydroxyphenyl)-N-methyl-7-methylsulfonyl-N-[[(2S)-pyrrolidin-2-yl]methyl]-4H-quinazoline-4-carboxamide
CID 140845643
3-(3-chloro-5-methylphenyl)-6-(3-hydroxyphenyl)-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]-4H-quinazoline-4-carboxamide
CID 140762547
3,5-dichloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607655
N-butyl-3-chloro-5-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612127
2,4,6-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607688
3-(4-fluorophenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea
CID 106629819
4-bromo-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608037
5-bromo-2-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607717
5-chloro-2-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607639

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-methylphenyl)-6-(4-fluoro-2-methylphenyl)-N,7-dimethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]-4H-quinazoline-4-carboxamide?
The IUPAC name of 3-(3-chloro-5-methylphenyl)-6-(4-fluoro-2-methylphenyl)-N,7-dimethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]-4H-quinazoline-4-carboxamide (CID 140762561) is 3-(3-chloro-5-methylphenyl)-6-(4-fluoro-2-methylphenyl)-N,7-dimethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]-4H-quinazoline-4-carboxamide.
What is the SMILES notation for 3-(3-chloro-5-methylphenyl)-6-(4-fluoro-2-methylphenyl)-N,7-dimethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]-4H-quinazoline-4-carboxamide?
The canonical SMILES for 3-(3-chloro-5-methylphenyl)-6-(4-fluoro-2-methylphenyl)-N,7-dimethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]-4H-quinazoline-4-carboxamide is Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4ccc(F)cc4C)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1.
What is the InChIKey of 3-(3-chloro-5-methylphenyl)-6-(4-fluoro-2-methylphenyl)-N,7-dimethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]-4H-quinazoline-4-carboxamide?
The InChIKey is CUQDPLGUFZFLEZ-QASNXKAYSA-N. The full InChI is InChI=1S/C30H32ClFN4O/c1-18-10-21(31)14-24(11-18)36-17-34-28-13-20(3)26(25-8-7-22(32)12-19(25)2)15-27(28)29(36)30(37)35(4)16-23-6-5-9-33-23/h7-8,10-15,17,23,29,33H,5-6,9,16H2,1-4H3/t23-,29?/m0/s1.
What are the key properties of 3-(3-chloro-5-methylphenyl)-6-(4-fluoro-2-methylphenyl)-N,7-dimethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]-4H-quinazoline-4-carboxamide?
3-(3-chloro-5-methylphenyl)-6-(4-fluoro-2-methylphenyl)-N,7-dimethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]-4H-quinazoline-4-carboxamide has a molecular weight of 519.06 g/mol, XLogP of 6.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-methylphenyl)-6-(4-fluoro-2-methylphenyl)-N,7-dimethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]-4H-quinazoline-4-carboxamide is sourced from PubChem (CID 140762561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).