N-butyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclopentanecarboxamide

C27H33N3O3 — CID 42720989

IUPACN-butyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclopentanecarboxamide
SMILESCCCCN(C(=O)C1CCCC1)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1OC
InChIInChI=1S/C27H33N3O3/c1-4-5-18-29(26(31)20-12-6-7-13-20)19(2)25-28-22-15-9-8-14-21(22)27(32)30(25)23-16-10-11-17-24(23)33-3/h8-11,14-17,19-20H,4-7,12-13,18H2,1-3H3
InChIKeyGWPQJSIGLIXTDY-UHFFFAOYSA-N
MW447.58 g/mol
LogP5.27
Rot. Bonds8

About N-butyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclopentanecarboxamide

N-butyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclopentanecarboxamide (PubChem CID 42720989) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is N-butyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-butyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclopentanecarboxamide
PubChem CID42720989
Molecular FormulaC27H33N3O3
Molecular Weight447.58 g/mol
Exact Mass447.25
IUPAC NameN-butyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclopentanecarboxamide
SMILESCCCCN(C(=O)C1CCCC1)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1OC
InChIInChI=1S/C27H33N3O3/c1-4-5-18-29(26(31)20-12-6-7-13-20)19(2)25-28-22-15-9-8-14-21(22)27(32)30(25)23-16-10-11-17-24(23)33-3/h8-11,14-17,19-20H,4-7,12-13,18H2,1-3H3
InChIKeyGWPQJSIGLIXTDY-UHFFFAOYSA-N
XLogP5.27
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.58
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclopentanecarboxamide
CID 42719994
N-[1-[3-(2-bromo-3,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylcyclohexanecarboxamide
CID 42726524
N-butyl-N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclohexanecarboxamide
CID 42719991
N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)cyclohexanecarboxamide
CID 4316096
N-butyl-N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclobutanecarboxamide
CID 42720633
N-hexyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]dodecanamide
CID 42657642
N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylcyclobutanecarboxamide
CID 42722454
ethyl 4-[butyl-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]amino]-4-oxobutanoate
CID 4316094
N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylcyclopentanecarboxamide
CID 42716388
N-butyl-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclobutanecarboxamide
CID 42721655
N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylcyclopentanecarboxamide
CID 42721516
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylcyclopentanecarboxamide
CID 3906979

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclopentanecarboxamide?
The IUPAC name of N-butyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclopentanecarboxamide (CID 42720989) is N-butyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-butyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-butyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclopentanecarboxamide is CCCCN(C(=O)C1CCCC1)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1OC.
What is the InChIKey of N-butyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclopentanecarboxamide?
The InChIKey is GWPQJSIGLIXTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O3/c1-4-5-18-29(26(31)20-12-6-7-13-20)19(2)25-28-22-15-9-8-14-21(22)27(32)30(25)23-16-10-11-17-24(23)33-3/h8-11,14-17,19-20H,4-7,12-13,18H2,1-3H3.
What are the key properties of N-butyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclopentanecarboxamide?
N-butyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclopentanecarboxamide has a molecular weight of 447.58 g/mol, XLogP of 5.27, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 42720989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).