N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopropanecarboxamide

C18H21N3O2 — CID 135429091

IUPACN-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopropanecarboxamide
SMILESO=C(C1CC1)N(Cc1nc2ccccc2c(=O)[nH]1)C1CCCC1
InChIInChI=1S/C18H21N3O2/c22-17-14-7-3-4-8-15(14)19-16(20-17)11-21(13-5-1-2-6-13)18(23)12-9-10-12/h3-4,7-8,12-13H,1-2,5-6,9-11H2,(H,19,20,22)
InChIKeyFIPDWVUCPPARNX-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.60
Rot. Bonds4

About N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopropanecarboxamide

N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopropanecarboxamide (PubChem CID 135429091) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopropanecarboxamide
PubChem CID135429091
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopropanecarboxamide
SMILESO=C(C1CC1)N(Cc1nc2ccccc2c(=O)[nH]1)C1CCCC1
InChIInChI=1S/C18H21N3O2/c22-17-14-7-3-4-8-15(14)19-16(20-17)11-21(13-5-1-2-6-13)18(23)12-9-10-12/h3-4,7-8,12-13H,1-2,5-6,9-11H2,(H,19,20,22)
InChIKeyFIPDWVUCPPARNX-UHFFFAOYSA-N
XLogP2.60
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopentyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylurea
CID 135481243
2-[[cycloheptyl(methyl)amino]methyl]-3H-quinazolin-4-one
CID 135850085
3-(2-chlorophenyl)-1-cyclohexyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 135417697
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(thiophen-2-ylmethyl)cyclopropanecarboxamide
CID 135429093
2-[(2-amino-2-oxoethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetic acid
CID 136776108
N-cyclohexyl-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-phenylacetamide
CID 135718611
1-cyclopentyl-3-(3-methoxyphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 135429176
N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-2-carboxamide
CID 137118075
1-ethylsulfonyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 135903946
trans-(1R,2S)-2-(aminomethyl)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopentane-1-carboxamide
CID 137131249
(2R)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrrolidine-2-carboxamide
CID 137036977
N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]cyclohexanecarboxamide
CID 136767866

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopropanecarboxamide (CID 135429091) is N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopropanecarboxamide is O=C(C1CC1)N(Cc1nc2ccccc2c(=O)[nH]1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopropanecarboxamide?
The InChIKey is FIPDWVUCPPARNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-17-14-7-3-4-8-15(14)19-16(20-17)11-21(13-5-1-2-6-13)18(23)12-9-10-12/h3-4,7-8,12-13H,1-2,5-6,9-11H2,(H,19,20,22).
What are the key properties of N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopropanecarboxamide?
N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopropanecarboxamide has a molecular weight of 311.38 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 135429091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).