N-[1-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)cyclopentanecarboxamide

C27H32ClN3O2 — CID 42719916

IUPACN-[1-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)cyclopentanecarboxamide
SMILESCC(C)CCN(C(=O)C1CCCC1)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1Cl
InChIInChI=1S/C27H32ClN3O2/c1-18(2)16-17-30(26(32)20-10-4-5-11-20)19(3)25-29-23-14-8-6-12-21(23)27(33)31(25)24-15-9-7-13-22(24)28/h6-9,12-15,18-20H,4-5,10-11,16-17H2,1-3H3
InChIKeyFECDVKOPVGZBLZ-UHFFFAOYSA-N
MW466.03 g/mol
LogP6.16
Rot. Bonds7

About N-[1-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)cyclopentanecarboxamide

N-[1-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)cyclopentanecarboxamide (PubChem CID 42719916) has the molecular formula C27H32ClN3O2 and a molecular weight of 466.03 g/mol. Its IUPAC name is N-[1-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)cyclopentanecarboxamide
PubChem CID42719916
Molecular FormulaC27H32ClN3O2
Molecular Weight466.03 g/mol
Exact Mass465.22
IUPAC NameN-[1-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)cyclopentanecarboxamide
SMILESCC(C)CCN(C(=O)C1CCCC1)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1Cl
InChIInChI=1S/C27H32ClN3O2/c1-18(2)16-17-30(26(32)20-10-4-5-11-20)19(3)25-29-23-14-8-6-12-21(23)27(33)31(25)24-15-9-7-13-22(24)28/h6-9,12-15,18-20H,4-5,10-11,16-17H2,1-3H3
InChIKeyFECDVKOPVGZBLZ-UHFFFAOYSA-N
XLogP6.16
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.03
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)cyclohexanecarboxamide
CID 4316096
N-butyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclopentanecarboxamide
CID 42720989
N-[1-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-2-methyl-N-(2-methylpropyl)benzamide
CID 42719639
N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylcyclobutanecarboxamide
CID 42722454
N-butyl-N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclopentanecarboxamide
CID 42719994
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylcyclopentanecarboxamide
CID 42721825
N-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)cyclobutanecarboxamide
CID 42721247
N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylcyclobutanecarboxamide
CID 42720609
N-butyl-N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclohexanecarboxamide
CID 42719991
N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)cyclopentanecarboxamide
CID 42720586
2-chloro-N-(3-methylbutyl)-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]acetamide
CID 4559937
N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylcyclobutanecarboxamide
CID 42715589

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)cyclopentanecarboxamide?
The IUPAC name of N-[1-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)cyclopentanecarboxamide (CID 42719916) is N-[1-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)cyclopentanecarboxamide.
What is the SMILES notation for N-[1-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)cyclopentanecarboxamide?
The canonical SMILES for N-[1-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)cyclopentanecarboxamide is CC(C)CCN(C(=O)C1CCCC1)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1Cl.
What is the InChIKey of N-[1-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)cyclopentanecarboxamide?
The InChIKey is FECDVKOPVGZBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClN3O2/c1-18(2)16-17-30(26(32)20-10-4-5-11-20)19(3)25-29-23-14-8-6-12-21(23)27(33)31(25)24-15-9-7-13-22(24)28/h6-9,12-15,18-20H,4-5,10-11,16-17H2,1-3H3.
What are the key properties of N-[1-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)cyclopentanecarboxamide?
N-[1-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)cyclopentanecarboxamide has a molecular weight of 466.03 g/mol, XLogP of 6.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)cyclopentanecarboxamide is sourced from PubChem (CID 42719916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).