1-(4-chlorophenyl)-3-[(3-methyl-4-oxoquinazolin-2-yl)methyl]urea

C17H15ClN4O2 — CID 110352028

IUPAC1-(4-chlorophenyl)-3-[(3-methyl-4-oxoquinazolin-2-yl)methyl]urea
SMILESCn1c(CNC(=O)Nc2ccc(Cl)cc2)nc2ccccc2c1=O
InChIInChI=1S/C17H15ClN4O2/c1-22-15(21-14-5-3-2-4-13(14)16(22)23)10-19-17(24)20-12-8-6-11(18)7-9-12/h2-9H,10H2,1H3,(H2,19,20,24)
InChIKeyVUNYEHBIYVOEAS-UHFFFAOYSA-N
MW342.79 g/mol
LogP2.91
Rot. Bonds3

About 1-(4-chlorophenyl)-3-[(3-methyl-4-oxoquinazolin-2-yl)methyl]urea

1-(4-chlorophenyl)-3-[(3-methyl-4-oxoquinazolin-2-yl)methyl]urea (PubChem CID 110352028) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(3-methyl-4-oxoquinazolin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(3-methyl-4-oxoquinazolin-2-yl)methyl]urea
PubChem CID110352028
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC Name1-(4-chlorophenyl)-3-[(3-methyl-4-oxoquinazolin-2-yl)methyl]urea
SMILESCn1c(CNC(=O)Nc2ccc(Cl)cc2)nc2ccccc2c1=O
InChIInChI=1S/C17H15ClN4O2/c1-22-15(21-14-5-3-2-4-13(14)16(22)23)10-19-17(24)20-12-8-6-11(18)7-9-12/h2-9H,10H2,1H3,(H2,19,20,24)
InChIKeyVUNYEHBIYVOEAS-UHFFFAOYSA-N
XLogP2.91
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]carbamate
CID 110352045
3,4-difluoro-N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]benzamide
CID 110352040
1-(4-chlorophenyl)-N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]methanesulfonamide
CID 110352103
N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]pyridine-4-carboxamide
CID 84513157
3-methyl-2-[[4-[4-[(3-methyl-4-oxoquinazolin-2-yl)methylamino]phenyl]anilino]methyl]quinazolin-4-one
CID 139248827
N-[(1-methylbenzimidazol-2-yl)methyl]-2-(phenylcarbamoylamino)acetamide
CID 24583701
N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]cyclohexanecarboxamide
CID 110351985
1-[(1S)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-chlorophenyl)urea
CID 1055839
1-[(3-methyl-4-oxoquinazolin-2-yl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 97352945
1-(4-chlorophenyl)-3-[(1-methylimidazol-2-yl)methyl]urea
CID 110446812
ethane;2-(hydroxymethyl)-3-methylquinazolin-4-one
CID 91302678
(2S)-N-(4-chlorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide
CID 7633398

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(3-methyl-4-oxoquinazolin-2-yl)methyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(3-methyl-4-oxoquinazolin-2-yl)methyl]urea (CID 110352028) is 1-(4-chlorophenyl)-3-[(3-methyl-4-oxoquinazolin-2-yl)methyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(3-methyl-4-oxoquinazolin-2-yl)methyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(3-methyl-4-oxoquinazolin-2-yl)methyl]urea is Cn1c(CNC(=O)Nc2ccc(Cl)cc2)nc2ccccc2c1=O.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(3-methyl-4-oxoquinazolin-2-yl)methyl]urea?
The InChIKey is VUNYEHBIYVOEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c1-22-15(21-14-5-3-2-4-13(14)16(22)23)10-19-17(24)20-12-8-6-11(18)7-9-12/h2-9H,10H2,1H3,(H2,19,20,24).
What are the key properties of 1-(4-chlorophenyl)-3-[(3-methyl-4-oxoquinazolin-2-yl)methyl]urea?
1-(4-chlorophenyl)-3-[(3-methyl-4-oxoquinazolin-2-yl)methyl]urea has a molecular weight of 342.79 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(3-methyl-4-oxoquinazolin-2-yl)methyl]urea is sourced from PubChem (CID 110352028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).