1-(4-fluorophenyl)-3-(3-methylcinnolin-5-yl)urea

C16H13FN4O — CID 6409921

IUPAC1-(4-fluorophenyl)-3-(3-methylcinnolin-5-yl)urea
SMILESCc1cc2c(NC(=O)Nc3ccc(F)cc3)cccc2nn1
InChIInChI=1S/C16H13FN4O/c1-10-9-13-14(3-2-4-15(13)21-20-10)19-16(22)18-12-7-5-11(17)6-8-12/h2-9H,1H3,(H2,18,19,22)
InChIKeyABIRKUQKFCDROG-UHFFFAOYSA-N
MW296.31 g/mol
LogP3.72
Rot. Bonds2

About 1-(4-fluorophenyl)-3-(3-methylcinnolin-5-yl)urea

1-(4-fluorophenyl)-3-(3-methylcinnolin-5-yl)urea (PubChem CID 6409921) has the molecular formula C16H13FN4O and a molecular weight of 296.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(3-methylcinnolin-5-yl)urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(3-methylcinnolin-5-yl)urea
PubChem CID6409921
Molecular FormulaC16H13FN4O
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC Name1-(4-fluorophenyl)-3-(3-methylcinnolin-5-yl)urea
SMILESCc1cc2c(NC(=O)Nc3ccc(F)cc3)cccc2nn1
InChIInChI=1S/C16H13FN4O/c1-10-9-13-14(3-2-4-15(13)21-20-10)19-16(22)18-12-7-5-11(17)6-8-12/h2-9H,1H3,(H2,18,19,22)
InChIKeyABIRKUQKFCDROG-UHFFFAOYSA-N
XLogP3.72
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenyl)-3-(3-methylcinnolin-5-yl)urea 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

1-(2-carbamothioyl-3-methylphenyl)-3-(4-fluorophenyl)urea
CID 107798932
4-amino-N-(3-methylcinnolin-5-yl)cyclohexane-1-carboxamide
CID 117073521
N-(3-methylcinnolin-5-yl)-2,1,3-benzothiadiazole-4-carboxamide
CID 42545433
N,N-dimethyl-2-[4-[(3-methylcinnolin-5-yl)amino]phenyl]acetamide
CID 157020250
1-(2-bromophenyl)-3-(4-fluorophenyl)urea
CID 835097
1-(3-methylcinnolin-5-yl)-3-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]urea
CID 72853441
2-[2-[(4-fluorophenyl)carbamoylamino]phenyl]acetamide
CID 90271537
1-(2-carbamothioyl-3-fluorophenyl)-3-(4-fluorophenyl)urea
CID 43581005
1-(4-amino-2-methylquinolin-6-yl)-3-(4-fluorophenyl)urea
CID 73055603
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(3-methylcinnolin-5-yl)urea
CID 118782413
1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)urea
CID 27870039
1-(4-fluorophenyl)-3-[2-(hydroxymethyl)phenyl]urea
CID 61497811

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(3-methylcinnolin-5-yl)urea?
The IUPAC name of 1-(4-fluorophenyl)-3-(3-methylcinnolin-5-yl)urea (CID 6409921) is 1-(4-fluorophenyl)-3-(3-methylcinnolin-5-yl)urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(3-methylcinnolin-5-yl)urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-(3-methylcinnolin-5-yl)urea is Cc1cc2c(NC(=O)Nc3ccc(F)cc3)cccc2nn1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(3-methylcinnolin-5-yl)urea?
The InChIKey is ABIRKUQKFCDROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O/c1-10-9-13-14(3-2-4-15(13)21-20-10)19-16(22)18-12-7-5-11(17)6-8-12/h2-9H,1H3,(H2,18,19,22).
What are the key properties of 1-(4-fluorophenyl)-3-(3-methylcinnolin-5-yl)urea?
1-(4-fluorophenyl)-3-(3-methylcinnolin-5-yl)urea has a molecular weight of 296.31 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(3-methylcinnolin-5-yl)urea is sourced from PubChem (CID 6409921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).