1-cyclopentyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylurea

C21H22N4O2 — CID 135481243

IUPAC1-cyclopentyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)N(Cc1nc2ccccc2c(=O)[nH]1)C1CCCC1
InChIInChI=1S/C21H22N4O2/c26-20-17-12-6-7-13-18(17)23-19(24-20)14-25(16-10-4-5-11-16)21(27)22-15-8-2-1-3-9-15/h1-3,6-9,12-13,16H,4-5,10-11,14H2,(H,22,27)(H,23,24,26)
InChIKeyRWWBSRFKGWEBMK-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.90
Rot. Bonds4

About 1-cyclopentyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylurea

1-cyclopentyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylurea (PubChem CID 135481243) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-cyclopentyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylurea.

Molecular Properties

Compound Name1-cyclopentyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylurea
PubChem CID135481243
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name1-cyclopentyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)N(Cc1nc2ccccc2c(=O)[nH]1)C1CCCC1
InChIInChI=1S/C21H22N4O2/c26-20-17-12-6-7-13-18(17)23-19(24-20)14-25(16-10-4-5-11-16)21(27)22-15-8-2-1-3-9-15/h1-3,6-9,12-13,16H,4-5,10-11,14H2,(H,22,27)(H,23,24,26)
InChIKeyRWWBSRFKGWEBMK-UHFFFAOYSA-N
XLogP3.90
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-cyclopentyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylurea 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-3-(3-methoxyphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 135429176
3-(2-chlorophenyl)-1-cyclohexyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 135417697
N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopropanecarboxamide
CID 135429091
2-[[cycloheptyl(methyl)amino]methyl]-3H-quinazolin-4-one
CID 135850085
1-[(4-fluorophenyl)methyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylurea
CID 135429162
N-cyclohexyl-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-phenylacetamide
CID 135718611
(3R)-3-N-methyl-3-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 136701479
1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea
CID 67700978
3-(4-acetylphenyl)-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 136948205
1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 136929486
2-[(2-amino-2-oxoethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetic acid
CID 136776108
2-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-3H-quinazolin-4-one
CID 135891186

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylurea?
The IUPAC name of 1-cyclopentyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylurea (CID 135481243) is 1-cyclopentyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylurea.
What is the SMILES notation for 1-cyclopentyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylurea?
The canonical SMILES for 1-cyclopentyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylurea is O=C(Nc1ccccc1)N(Cc1nc2ccccc2c(=O)[nH]1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylurea?
The InChIKey is RWWBSRFKGWEBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-20-17-12-6-7-13-18(17)23-19(24-20)14-25(16-10-4-5-11-16)21(27)22-15-8-2-1-3-9-15/h1-3,6-9,12-13,16H,4-5,10-11,14H2,(H,22,27)(H,23,24,26).
What are the key properties of 1-cyclopentyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylurea?
1-cyclopentyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylurea has a molecular weight of 362.43 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylurea is sourced from PubChem (CID 135481243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).