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

C27H26ClN3O3 — CID 42723571

IUPAC2-chloro-N-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
SMILESCCN(C(=O)c1ccccc1Cl)C(C)c1nc2ccccc2c(=O)n1-c1cc(C)ccc1OC
InChIInChI=1S/C27H26ClN3O3/c1-5-30(26(32)19-10-6-8-12-21(19)28)18(3)25-29-22-13-9-7-11-20(22)27(33)31(25)23-16-17(2)14-15-24(23)34-4/h6-16,18H,5H2,1-4H3
InChIKeyZHGSMVMQURUQEJ-UHFFFAOYSA-N
MW475.98 g/mol
LogP5.58
Rot. Bonds6

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

2-chloro-N-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide (PubChem CID 42723571) has the molecular formula C27H26ClN3O3 and a molecular weight of 475.98 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
PubChem CID42723571
Molecular FormulaC27H26ClN3O3
Molecular Weight475.98 g/mol
Exact Mass475.17
IUPAC Name2-chloro-N-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
SMILESCCN(C(=O)c1ccccc1Cl)C(C)c1nc2ccccc2c(=O)n1-c1cc(C)ccc1OC
InChIInChI=1S/C27H26ClN3O3/c1-5-30(26(32)19-10-6-8-12-21(19)28)18(3)25-29-22-13-9-7-11-20(22)27(33)31(25)23-16-17(2)14-15-24(23)34-4/h6-16,18H,5H2,1-4H3
InChIKeyZHGSMVMQURUQEJ-UHFFFAOYSA-N
XLogP5.58
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.98
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide
CID 42723598
N-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42723568
N-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]propanamide
CID 42723566
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
2-chloro-N-ethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42723020
N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)butanamide
CID 42723641
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-hexyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]butanamide
CID 42723674
N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-methyl-N-(2-phenylethyl)benzamide
CID 5225391
N-benzyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclopentanecarboxamide
CID 42723693

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide?
The IUPAC name of 2-chloro-N-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide (CID 42723571) is 2-chloro-N-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide is CCN(C(=O)c1ccccc1Cl)C(C)c1nc2ccccc2c(=O)n1-c1cc(C)ccc1OC.
What is the InChIKey of 2-chloro-N-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide?
The InChIKey is ZHGSMVMQURUQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN3O3/c1-5-30(26(32)19-10-6-8-12-21(19)28)18(3)25-29-22-13-9-7-11-20(22)27(33)31(25)23-16-17(2)14-15-24(23)34-4/h6-16,18H,5H2,1-4H3.
What are the key properties of 2-chloro-N-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide?
2-chloro-N-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide has a molecular weight of 475.98 g/mol, XLogP of 5.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide is sourced from PubChem (CID 42723571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).