2-chloro-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide

C28H28ClN3O3 — CID 42723598

IUPAC2-chloro-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide
SMILESCCCN(C(=O)c1ccccc1Cl)C(C)c1nc2ccccc2c(=O)n1-c1cc(C)ccc1OC
InChIInChI=1S/C28H28ClN3O3/c1-5-16-31(27(33)20-10-6-8-12-22(20)29)19(3)26-30-23-13-9-7-11-21(23)28(34)32(26)24-17-18(2)14-15-25(24)35-4/h6-15,17,19H,5,16H2,1-4H3
InChIKeyWAMKBGFDLXFOGH-UHFFFAOYSA-N
MW490.00 g/mol
LogP5.97
Rot. Bonds7

About 2-chloro-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide

2-chloro-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide (PubChem CID 42723598) has the molecular formula C28H28ClN3O3 and a molecular weight of 490.00 g/mol. Its IUPAC name is 2-chloro-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide
PubChem CID42723598
Molecular FormulaC28H28ClN3O3
Molecular Weight490.00 g/mol
Exact Mass489.18
IUPAC Name2-chloro-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide
SMILESCCCN(C(=O)c1ccccc1Cl)C(C)c1nc2ccccc2c(=O)n1-c1cc(C)ccc1OC
InChIInChI=1S/C28H28ClN3O3/c1-5-16-31(27(33)20-10-6-8-12-22(20)29)19(3)26-30-23-13-9-7-11-21(23)28(34)32(26)24-17-18(2)14-15-25(24)35-4/h6-15,17,19H,5,16H2,1-4H3
InChIKeyWAMKBGFDLXFOGH-UHFFFAOYSA-N
XLogP5.97
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.00
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42723571
N-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42723568
4-chloro-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)benzamide
CID 42723660
3-ethyl-1-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-pentylurea
CID 42723244
N-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]propanamide
CID 42723566
N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)butanamide
CID 42723641
N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-methyl-N-(2-phenylethyl)benzamide
CID 5225391
N-hexyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]butanamide
CID 42723674
3-bromo-N-butyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 3937988
N-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-methylbutanamide
CID 42723592
3-(4-chlorophenyl)-1-ethyl-1-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42723210
N-butyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-nitrobenzamide
CID 42723626

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide?
The IUPAC name of 2-chloro-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide (CID 42723598) is 2-chloro-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide.
What is the SMILES notation for 2-chloro-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide?
The canonical SMILES for 2-chloro-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide is CCCN(C(=O)c1ccccc1Cl)C(C)c1nc2ccccc2c(=O)n1-c1cc(C)ccc1OC.
What is the InChIKey of 2-chloro-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide?
The InChIKey is WAMKBGFDLXFOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClN3O3/c1-5-16-31(27(33)20-10-6-8-12-22(20)29)19(3)26-30-23-13-9-7-11-21(23)28(34)32(26)24-17-18(2)14-15-25(24)35-4/h6-15,17,19H,5,16H2,1-4H3.
What are the key properties of 2-chloro-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide?
2-chloro-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide has a molecular weight of 490.00 g/mol, XLogP of 5.97, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide is sourced from PubChem (CID 42723598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).