N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-(2-phenylethyl)cyclopentanecarboxamide

C27H33N3O2 — CID 42713487

IUPACN-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-(2-phenylethyl)cyclopentanecarboxamide
SMILESCCCn1c(C(C)N(CCc2ccccc2)C(=O)C2CCCC2)nc2ccccc2c1=O
InChIInChI=1S/C27H33N3O2/c1-3-18-30-25(28-24-16-10-9-15-23(24)27(30)32)20(2)29(26(31)22-13-7-8-14-22)19-17-21-11-5-4-6-12-21/h4-6,9-12,15-16,20,22H,3,7-8,13-14,17-19H2,1-2H3
InChIKeyBPANTROILDINEQ-UHFFFAOYSA-N
MW431.58 g/mol
LogP5.13
Rot. Bonds8

About N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-(2-phenylethyl)cyclopentanecarboxamide

N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-(2-phenylethyl)cyclopentanecarboxamide (PubChem CID 42713487) has the molecular formula C27H33N3O2 and a molecular weight of 431.58 g/mol. Its IUPAC name is N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-(2-phenylethyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-(2-phenylethyl)cyclopentanecarboxamide
PubChem CID42713487
Molecular FormulaC27H33N3O2
Molecular Weight431.58 g/mol
Exact Mass431.26
IUPAC NameN-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-(2-phenylethyl)cyclopentanecarboxamide
SMILESCCCn1c(C(C)N(CCc2ccccc2)C(=O)C2CCCC2)nc2ccccc2c1=O
InChIInChI=1S/C27H33N3O2/c1-3-18-30-25(28-24-16-10-9-15-23(24)27(30)32)20(2)29(26(31)22-13-7-8-14-22)19-17-21-11-5-4-6-12-21/h4-6,9-12,15-16,20,22H,3,7-8,13-14,17-19H2,1-2H3
InChIKeyBPANTROILDINEQ-UHFFFAOYSA-N
XLogP5.13
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-(2-phenylethyl)benzamide
CID 42713483
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)cyclopentanecarboxamide
CID 42711727
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)cyclohexanecarboxamide
CID 42729093
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylcyclopentanecarboxamide
CID 42721825
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(furan-2-ylmethyl)cyclopentanecarboxamide
CID 42711354
3-benzyl-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea
CID 42713300
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylcyclopentanecarboxamide
CID 3906979
4-butyl-N-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylbenzamide
CID 7412483
N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-propylcyclopentanecarboxamide
CID 42711907
N-(2-methoxyethyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-2-phenylacetamide
CID 42713326
N-[1-[3-(2-bromo-3,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)cyclobutanecarboxamide
CID 3937987
N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylcyclopentanecarboxamide
CID 42716388

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-(2-phenylethyl)cyclopentanecarboxamide?
The IUPAC name of N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-(2-phenylethyl)cyclopentanecarboxamide (CID 42713487) is N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-(2-phenylethyl)cyclopentanecarboxamide.
What is the SMILES notation for N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-(2-phenylethyl)cyclopentanecarboxamide?
The canonical SMILES for N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-(2-phenylethyl)cyclopentanecarboxamide is CCCn1c(C(C)N(CCc2ccccc2)C(=O)C2CCCC2)nc2ccccc2c1=O.
What is the InChIKey of N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-(2-phenylethyl)cyclopentanecarboxamide?
The InChIKey is BPANTROILDINEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O2/c1-3-18-30-25(28-24-16-10-9-15-23(24)27(30)32)20(2)29(26(31)22-13-7-8-14-22)19-17-21-11-5-4-6-12-21/h4-6,9-12,15-16,20,22H,3,7-8,13-14,17-19H2,1-2H3.
What are the key properties of N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-(2-phenylethyl)cyclopentanecarboxamide?
N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-(2-phenylethyl)cyclopentanecarboxamide has a molecular weight of 431.58 g/mol, XLogP of 5.13, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-(2-phenylethyl)cyclopentanecarboxamide is sourced from PubChem (CID 42713487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).