N-(3-methylphenyl)-4-oxo-1-phenylcinnoline-3-carboxamide

C22H17N3O2 — CID 53169689

IUPACN-(3-methylphenyl)-4-oxo-1-phenylcinnoline-3-carboxamide
SMILESCc1cccc(NC(=O)c2nn(-c3ccccc3)c3ccccc3c2=O)c1
InChIInChI=1S/C22H17N3O2/c1-15-8-7-9-16(14-15)23-22(27)20-21(26)18-12-5-6-13-19(18)25(24-20)17-10-3-2-4-11-17/h2-14H,1H3,(H,23,27)
InChIKeyRFSRNXQEOLLKQG-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.95
Rot. Bonds3

About N-(3-methylphenyl)-4-oxo-1-phenylcinnoline-3-carboxamide

N-(3-methylphenyl)-4-oxo-1-phenylcinnoline-3-carboxamide (PubChem CID 53169689) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-oxo-1-phenylcinnoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-oxo-1-phenylcinnoline-3-carboxamide
PubChem CID53169689
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC NameN-(3-methylphenyl)-4-oxo-1-phenylcinnoline-3-carboxamide
SMILESCc1cccc(NC(=O)c2nn(-c3ccccc3)c3ccccc3c2=O)c1
InChIInChI=1S/C22H17N3O2/c1-15-8-7-9-16(14-15)23-22(27)20-21(26)18-12-5-6-13-19(18)25(24-20)17-10-3-2-4-11-17/h2-14H,1H3,(H,23,27)
InChIKeyRFSRNXQEOLLKQG-UHFFFAOYSA-N
XLogP3.95
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-5-methylphenyl)-4-oxo-1-phenylcinnoline-3-carboxamide
CID 53169702
N-benzyl-4-oxo-1-phenylcinnoline-3-carboxamide
CID 53169748
N-(3-methylphenyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31853823
N-(3-methylphenyl)-1,5-diphenyltriazole-4-carboxamide
CID 16651444
5-chloro-3-methyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 3132709
N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-4-oxocinnoline-3-carboxamide
CID 53169717
N-(4-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 8760225
N-(3-ethylphenyl)-5-methyl-3-(4-methylphenyl)-4-oxopyridazino[4,5-b]indole-1-carboxamide
CID 15992704
N-(3-methylphenyl)-3-phenylimidazole-4-carboxamide
CID 27166887
N-(3-methylphenyl)-1,5-diphenylpyrazole-4-carboxamide
CID 985834
1-(4-fluorophenyl)-4-methoxy-N-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8557146
N-(3-methoxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 17399746

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4-oxo-1-phenylcinnoline-3-carboxamide?
The IUPAC name of N-(3-methylphenyl)-4-oxo-1-phenylcinnoline-3-carboxamide (CID 53169689) is N-(3-methylphenyl)-4-oxo-1-phenylcinnoline-3-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-4-oxo-1-phenylcinnoline-3-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-4-oxo-1-phenylcinnoline-3-carboxamide is Cc1cccc(NC(=O)c2nn(-c3ccccc3)c3ccccc3c2=O)c1.
What is the InChIKey of N-(3-methylphenyl)-4-oxo-1-phenylcinnoline-3-carboxamide?
The InChIKey is RFSRNXQEOLLKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c1-15-8-7-9-16(14-15)23-22(27)20-21(26)18-12-5-6-13-19(18)25(24-20)17-10-3-2-4-11-17/h2-14H,1H3,(H,23,27).
What are the key properties of N-(3-methylphenyl)-4-oxo-1-phenylcinnoline-3-carboxamide?
N-(3-methylphenyl)-4-oxo-1-phenylcinnoline-3-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-4-oxo-1-phenylcinnoline-3-carboxamide is sourced from PubChem (CID 53169689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).