1-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-cyclohexylurea

C18H23ClN4O2 — CID 3895927

IUPAC1-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-cyclohexylurea
SMILESCC(NC(=O)NC1CCCCC1)c1nc2cc(Cl)ccc2c(=O)n1C
InChIInChI=1S/C18H23ClN4O2/c1-11(20-18(25)21-13-6-4-3-5-7-13)16-22-15-10-12(19)8-9-14(15)17(24)23(16)2/h8-11,13H,3-7H2,1-2H3,(H2,20,21,25)
InChIKeyOOJQLMYHXUKXBC-UHFFFAOYSA-N
MW362.86 g/mol
LogP3.28
Rot. Bonds3

About 1-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-cyclohexylurea

1-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-cyclohexylurea (PubChem CID 3895927) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is 1-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-cyclohexylurea
PubChem CID3895927
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC Name1-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-cyclohexylurea
SMILESCC(NC(=O)NC1CCCCC1)c1nc2cc(Cl)ccc2c(=O)n1C
InChIInChI=1S/C18H23ClN4O2/c1-11(20-18(25)21-13-6-4-3-5-7-13)16-22-15-10-12(19)8-9-14(15)17(24)23(16)2/h8-11,13H,3-7H2,1-2H3,(H2,20,21,25)
InChIKeyOOJQLMYHXUKXBC-UHFFFAOYSA-N
XLogP3.28
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-chlorophenyl)urea
CID 1055839
3-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-1,1-dimethylurea
CID 4661015
N-[(1R)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-fluorobenzamide
CID 1055784
N-[(1S)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide
CID 1055781
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]naphthalene-1-carboxamide
CID 4573160
7-chloro-3-methyl-2-[(1R)-1-(2-methylpropylamino)ethyl]quinazolin-4-one
CID 769633
(2R)-2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-cyclohexylpropanamide
CID 7428000
7-chloro-2-[(1S)-1-(hexylamino)ethyl]-3-methylquinazolin-4-one
CID 7262108
3-chloro-N-cyclohexyl-11-oxopyrido[2,1-b]quinazoline-8-carboxamide
CID 5130466
2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(cyclohexylcarbamoyl)acetamide
CID 16510001
2-[7-chloro-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclopentylpropanamide
CID 42980062
4-chloro-N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylbutanamide
CID 42712263

Frequently Asked Questions

What is the IUPAC name of 1-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-cyclohexylurea?
The IUPAC name of 1-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-cyclohexylurea (CID 3895927) is 1-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-cyclohexylurea.
What is the SMILES notation for 1-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-cyclohexylurea?
The canonical SMILES for 1-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-cyclohexylurea is CC(NC(=O)NC1CCCCC1)c1nc2cc(Cl)ccc2c(=O)n1C.
What is the InChIKey of 1-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-cyclohexylurea?
The InChIKey is OOJQLMYHXUKXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O2/c1-11(20-18(25)21-13-6-4-3-5-7-13)16-22-15-10-12(19)8-9-14(15)17(24)23(16)2/h8-11,13H,3-7H2,1-2H3,(H2,20,21,25).
What are the key properties of 1-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-cyclohexylurea?
1-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-cyclohexylurea has a molecular weight of 362.86 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-cyclohexylurea is sourced from PubChem (CID 3895927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).