1-(3-methylcinnolin-5-yl)-3-phenylurea

C16H14N4O — CID 6409922

IUPAC1-(3-methylcinnolin-5-yl)-3-phenylurea
SMILESCc1cc2c(NC(=O)Nc3ccccc3)cccc2nn1
InChIInChI=1S/C16H14N4O/c1-11-10-13-14(8-5-9-15(13)20-19-11)18-16(21)17-12-6-3-2-4-7-12/h2-10H,1H3,(H2,17,18,21)
InChIKeyBCOWKWPZIYVPAF-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.58
Rot. Bonds2

About 1-(3-methylcinnolin-5-yl)-3-phenylurea

1-(3-methylcinnolin-5-yl)-3-phenylurea (PubChem CID 6409922) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-(3-methylcinnolin-5-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(3-methylcinnolin-5-yl)-3-phenylurea
PubChem CID6409922
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name1-(3-methylcinnolin-5-yl)-3-phenylurea
SMILESCc1cc2c(NC(=O)Nc3ccccc3)cccc2nn1
InChIInChI=1S/C16H14N4O/c1-11-10-13-14(8-5-9-15(13)20-19-11)18-16(21)17-12-6-3-2-4-7-12/h2-10H,1H3,(H2,17,18,21)
InChIKeyBCOWKWPZIYVPAF-UHFFFAOYSA-N
XLogP3.58
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-methylcinnolin-5-yl)-3-phenylurea 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

N-(3,4-dichlorobenzyl)-N'-(3-methylcinnolin-5-yl)urea
CID 10406258
2-p-Tolyl-6H-pyrazolo[1,5-c]quinazolin-5-one
CID 135504122
N-(4-fluorophenyl)-N'-(3-methyl-5-cinnolinyl)urea
CID 6409921
N-[4-(tert-butyl)phenyl]-N'-(3-methyl-5-cinnolinyl)urea
CID 6409923
1-[3-(Dimethylamino)phenyl]-3-(2-methylquinolin-4-yl)urea
CID 22745152
[(2-fluorophenyl)amino]-N-(2-methyl(4-quinolyl))carboxamide
CID 5052662
1-(3-Fluorophenyl)-3-(2-methylquinolin-4-yl)urea
CID 16085850
1-(2,5-Difluorophenyl)-3-(2-methylquinolin-4-yl)urea
CID 16085851
1-(3,4-Difluorophenyl)-3-(2-methylquinolin-4-yl)urea
CID 16085852
1-(2,4-Difluorophenyl)-3-(2-methylquinolin-4-yl)urea
CID 16085890
1-(3,5-Difluorophenyl)-3-(2-methylquinolin-4-yl)urea
CID 16085891
1-(3-Methylphenyl)-3-(2-methylquinolin-4-yl)urea
CID 53319755

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcinnolin-5-yl)-3-phenylurea?
The IUPAC name of 1-(3-methylcinnolin-5-yl)-3-phenylurea (CID 6409922) is 1-(3-methylcinnolin-5-yl)-3-phenylurea.
What is the SMILES notation for 1-(3-methylcinnolin-5-yl)-3-phenylurea?
The canonical SMILES for 1-(3-methylcinnolin-5-yl)-3-phenylurea is Cc1cc2c(NC(=O)Nc3ccccc3)cccc2nn1.
What is the InChIKey of 1-(3-methylcinnolin-5-yl)-3-phenylurea?
The InChIKey is BCOWKWPZIYVPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-11-10-13-14(8-5-9-15(13)20-19-11)18-16(21)17-12-6-3-2-4-7-12/h2-10H,1H3,(H2,17,18,21).
What are the key properties of 1-(3-methylcinnolin-5-yl)-3-phenylurea?
1-(3-methylcinnolin-5-yl)-3-phenylurea has a molecular weight of 278.31 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcinnolin-5-yl)-3-phenylurea is sourced from PubChem (CID 6409922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).