5-chloro-2-methoxy-N-(4-pyrrolidin-1-ylquinazolin-6-yl)benzamide

C20H19ClN4O2 — CID 53140541

IUPAC5-chloro-2-methoxy-N-(4-pyrrolidin-1-ylquinazolin-6-yl)benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc2ncnc(N3CCCC3)c2c1
InChIInChI=1S/C20H19ClN4O2/c1-27-18-7-4-13(21)10-16(18)20(26)24-14-5-6-17-15(11-14)19(23-12-22-17)25-8-2-3-9-25/h4-7,10-12H,2-3,8-9H2,1H3,(H,24,26)
InChIKeyYLGLQCNDBAAKHV-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.14
Rot. Bonds4

About 5-chloro-2-methoxy-N-(4-pyrrolidin-1-ylquinazolin-6-yl)benzamide

5-chloro-2-methoxy-N-(4-pyrrolidin-1-ylquinazolin-6-yl)benzamide (PubChem CID 53140541) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(4-pyrrolidin-1-ylquinazolin-6-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(4-pyrrolidin-1-ylquinazolin-6-yl)benzamide
PubChem CID53140541
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name5-chloro-2-methoxy-N-(4-pyrrolidin-1-ylquinazolin-6-yl)benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc2ncnc(N3CCCC3)c2c1
InChIInChI=1S/C20H19ClN4O2/c1-27-18-7-4-13(21)10-16(18)20(26)24-14-5-6-17-15(11-14)19(23-12-22-17)25-8-2-3-9-25/h4-7,10-12H,2-3,8-9H2,1H3,(H,24,26)
InChIKeyYLGLQCNDBAAKHV-UHFFFAOYSA-N
XLogP4.14
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-2-methoxy-N-(4-pyrrolidin-1-ylquinazolin-6-yl)benzamide 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

5-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxybenzamide
CID 1007459
5-chloro-2-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53164660
5-chloro-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-methoxybenzamide
CID 3967423
5-chloro-2-methoxy-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 50748451
5-chloro-N-(3,4-difluorophenyl)-2-methoxybenzamide
CID 842280
5-chloro-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-2-methoxybenzamide
CID 1333237
N-(3-amino-4-methoxyphenyl)-5-chloro-2-methoxybenzamide
CID 43599928
1-[4-(6-chloroquinazolin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 171328778
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylquinazoline-6-carboxamide
CID 71830080
5-chloro-2-methoxy-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide
CID 108756608
N-(4-bromo-3-methylphenyl)-5-chloro-2-methoxybenzamide
CID 2198688
5-chloro-2-methoxy-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686947

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(4-pyrrolidin-1-ylquinazolin-6-yl)benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-(4-pyrrolidin-1-ylquinazolin-6-yl)benzamide (CID 53140541) is 5-chloro-2-methoxy-N-(4-pyrrolidin-1-ylquinazolin-6-yl)benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-(4-pyrrolidin-1-ylquinazolin-6-yl)benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-(4-pyrrolidin-1-ylquinazolin-6-yl)benzamide is COc1ccc(Cl)cc1C(=O)Nc1ccc2ncnc(N3CCCC3)c2c1.
What is the InChIKey of 5-chloro-2-methoxy-N-(4-pyrrolidin-1-ylquinazolin-6-yl)benzamide?
The InChIKey is YLGLQCNDBAAKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-27-18-7-4-13(21)10-16(18)20(26)24-14-5-6-17-15(11-14)19(23-12-22-17)25-8-2-3-9-25/h4-7,10-12H,2-3,8-9H2,1H3,(H,24,26).
What are the key properties of 5-chloro-2-methoxy-N-(4-pyrrolidin-1-ylquinazolin-6-yl)benzamide?
5-chloro-2-methoxy-N-(4-pyrrolidin-1-ylquinazolin-6-yl)benzamide has a molecular weight of 382.85 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(4-pyrrolidin-1-ylquinazolin-6-yl)benzamide is sourced from PubChem (CID 53140541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).