3-(2-chlorophenyl)-1-cyclohexyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea

C22H23ClN4O2 — CID 135417697

IUPAC3-(2-chlorophenyl)-1-cyclohexyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
SMILESO=C(Nc1ccccc1Cl)N(Cc1nc2ccccc2c(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C22H23ClN4O2/c23-17-11-5-7-13-19(17)25-22(29)27(15-8-2-1-3-9-15)14-20-24-18-12-6-4-10-16(18)21(28)26-20/h4-7,10-13,15H,1-3,8-9,14H2,(H,25,29)(H,24,26,28)
InChIKeyPSDXCHRRNJYKNO-UHFFFAOYSA-N
MW410.91 g/mol
LogP4.94
Rot. Bonds4

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

3-(2-chlorophenyl)-1-cyclohexyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea (PubChem CID 135417697) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-cyclohexyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-cyclohexyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
PubChem CID135417697
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC Name3-(2-chlorophenyl)-1-cyclohexyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
SMILESO=C(Nc1ccccc1Cl)N(Cc1nc2ccccc2c(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C22H23ClN4O2/c23-17-11-5-7-13-19(17)25-22(29)27(15-8-2-1-3-9-15)14-20-24-18-12-6-4-10-16(18)21(28)26-20/h4-7,10-13,15H,1-3,8-9,14H2,(H,25,29)(H,24,26,28)
InChIKeyPSDXCHRRNJYKNO-UHFFFAOYSA-N
XLogP4.94
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2-chlorophenyl)-1-cyclohexyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea with MolForge

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Related Compounds

1-cyclopentyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylurea
CID 135481243
N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopropanecarboxamide
CID 135429091
1-cyclopentyl-3-(3-methoxyphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 135429176
2-[[cycloheptyl(methyl)amino]methyl]-3H-quinazolin-4-one
CID 135850085
3-(3-chloro-2-methoxyphenyl)-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 136873354
3-(2-chlorophenyl)-1-cyclopentyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1449416
N-cyclohexyl-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-phenylacetamide
CID 135718611
N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]cyclohexanecarboxamide
CID 136767866
2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-(2-chlorophenyl)acetamide
CID 135950012
3-cyclohexyl-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]thiourea
CID 135789332
N-cyclohexyl-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide
CID 135417677
3-(2-chlorophenyl)-1-cyclopropyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1457667

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-cyclohexyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea?
The IUPAC name of 3-(2-chlorophenyl)-1-cyclohexyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea (CID 135417697) is 3-(2-chlorophenyl)-1-cyclohexyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea.
What is the SMILES notation for 3-(2-chlorophenyl)-1-cyclohexyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea?
The canonical SMILES for 3-(2-chlorophenyl)-1-cyclohexyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea is O=C(Nc1ccccc1Cl)N(Cc1nc2ccccc2c(=O)[nH]1)C1CCCCC1.
What is the InChIKey of 3-(2-chlorophenyl)-1-cyclohexyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea?
The InChIKey is PSDXCHRRNJYKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c23-17-11-5-7-13-19(17)25-22(29)27(15-8-2-1-3-9-15)14-20-24-18-12-6-4-10-16(18)21(28)26-20/h4-7,10-13,15H,1-3,8-9,14H2,(H,25,29)(H,24,26,28).
What are the key properties of 3-(2-chlorophenyl)-1-cyclohexyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea?
3-(2-chlorophenyl)-1-cyclohexyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea has a molecular weight of 410.91 g/mol, XLogP of 4.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-cyclohexyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea is sourced from PubChem (CID 135417697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).