1-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-3-phenylurea

C17H18N4O2 — CID 17198262

IUPAC1-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-3-phenylurea
SMILESCc1nc(NC(=O)Nc2ccccc2)nc2c1C(=O)CC(C)C2
InChIInChI=1S/C17H18N4O2/c1-10-8-13-15(14(22)9-10)11(2)18-16(20-13)21-17(23)19-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H2,18,19,20,21,23)
InChIKeyPHTYVCWFFYSIMY-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.19
Rot. Bonds2

About 1-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-3-phenylurea

1-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-3-phenylurea (PubChem CID 17198262) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-3-phenylurea
PubChem CID17198262
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name1-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-3-phenylurea
SMILESCc1nc(NC(=O)Nc2ccccc2)nc2c1C(=O)CC(C)C2
InChIInChI=1S/C17H18N4O2/c1-10-8-13-15(14(22)9-10)11(2)18-16(20-13)21-17(23)19-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H2,18,19,20,21,23)
InChIKeyPHTYVCWFFYSIMY-UHFFFAOYSA-N
XLogP3.19
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-3-phenylurea with MolForge

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Related Compounds

N-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)thiophene-2-carboxamide
CID 17198242
(7S)-4,7-dimethyl-2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one
CID 29101578
4,7-dimethyl-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 16584112
2-anilino-4-(4-chloroanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 43902982
4-anilino-2-(4-methoxyanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 43903095
2,4,7-trimethyl-7,8-dihydro-6H-quinazolin-5-one
CID 22948964
(7S)-4,7-dimethyl-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-7,8-dihydro-6H-quinazolin-5-one
CID 27261997
1-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-3-phenylurea
CID 972826
2-anilino-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one
CID 16583938
4-(3-methoxyanilino)-7-methyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 43903150
(7R)-4-methyl-7-phenyl-2-[3-(trifluoromethyl)anilino]-7,8-dihydro-6H-quinazolin-5-one
CID 41386841
1-phenyl-3-[4-(phenylcarbamoylamino)-1,3,5-triazin-2-yl]urea
CID 23876655

Frequently Asked Questions

What is the IUPAC name of 1-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-3-phenylurea?
The IUPAC name of 1-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-3-phenylurea (CID 17198262) is 1-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-3-phenylurea.
What is the SMILES notation for 1-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-3-phenylurea?
The canonical SMILES for 1-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-3-phenylurea is Cc1nc(NC(=O)Nc2ccccc2)nc2c1C(=O)CC(C)C2.
What is the InChIKey of 1-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-3-phenylurea?
The InChIKey is PHTYVCWFFYSIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-10-8-13-15(14(22)9-10)11(2)18-16(20-13)21-17(23)19-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H2,18,19,20,21,23).
What are the key properties of 1-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-3-phenylurea?
1-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-3-phenylurea has a molecular weight of 310.36 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-3-phenylurea is sourced from PubChem (CID 17198262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).