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

C22H24N4O3 — CID 135429176

IUPAC1-cyclopentyl-3-(3-methoxyphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
SMILESCOc1cccc(NC(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C2CCCC2)c1
InChIInChI=1S/C22H24N4O3/c1-29-17-10-6-7-15(13-17)23-22(28)26(16-8-2-3-9-16)14-20-24-19-12-5-4-11-18(19)21(27)25-20/h4-7,10-13,16H,2-3,8-9,14H2,1H3,(H,23,28)(H,24,25,27)
InChIKeyRGFUDDAFALRSPF-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.91
Rot. Bonds5

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

1-cyclopentyl-3-(3-methoxyphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea (PubChem CID 135429176) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-cyclopentyl-3-(3-methoxyphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-(3-methoxyphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
PubChem CID135429176
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name1-cyclopentyl-3-(3-methoxyphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
SMILESCOc1cccc(NC(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C2CCCC2)c1
InChIInChI=1S/C22H24N4O3/c1-29-17-10-6-7-15(13-17)23-22(28)26(16-8-2-3-9-16)14-20-24-19-12-5-4-11-18(19)21(27)25-20/h4-7,10-13,16H,2-3,8-9,14H2,1H3,(H,23,28)(H,24,25,27)
InChIKeyRGFUDDAFALRSPF-UHFFFAOYSA-N
XLogP3.91
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-cyclopentyl-3-(3-methoxyphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea 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
3-(2-chlorophenyl)-1-cyclohexyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 135417697
ethyl-[2-(3-methoxyanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808785
[2-(3-methoxyanilino)-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135809349
N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopropanecarboxamide
CID 135429091
1-cyclopentyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea
CID 652123
1-cyclohexyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea
CID 1430573
2-[[cycloheptyl(methyl)amino]methyl]-3H-quinazolin-4-one
CID 135850085
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137258780
N-(4-methoxyphenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135836433
1-(3-aminopropyl)-1-cyclobutyl-3-(3-methoxyphenyl)urea
CID 102874255
1-(6-aminohexyl)-3-(3-methoxyphenyl)-1-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]urea
CID 135500162

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(3-methoxyphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea?
The IUPAC name of 1-cyclopentyl-3-(3-methoxyphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea (CID 135429176) is 1-cyclopentyl-3-(3-methoxyphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-(3-methoxyphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea?
The canonical SMILES for 1-cyclopentyl-3-(3-methoxyphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea is COc1cccc(NC(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C2CCCC2)c1.
What is the InChIKey of 1-cyclopentyl-3-(3-methoxyphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea?
The InChIKey is RGFUDDAFALRSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-29-17-10-6-7-15(13-17)23-22(28)26(16-8-2-3-9-16)14-20-24-19-12-5-4-11-18(19)21(27)25-20/h4-7,10-13,16H,2-3,8-9,14H2,1H3,(H,23,28)(H,24,25,27).
What are the key properties of 1-cyclopentyl-3-(3-methoxyphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea?
1-cyclopentyl-3-(3-methoxyphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea has a molecular weight of 392.46 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(3-methoxyphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea is sourced from PubChem (CID 135429176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).