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

C22H17N3O — CID 46288086

IUPACN-(3-methylphenyl)-3-phenylcinnoline-4-carboxamide
SMILESCc1cccc(NC(=O)c2c(-c3ccccc3)nnc3ccccc23)c1
InChIInChI=1S/C22H17N3O/c1-15-8-7-11-17(14-15)23-22(26)20-18-12-5-6-13-19(18)24-25-21(20)16-9-3-2-4-10-16/h2-14H,1H3,(H,23,26)
InChIKeyGYFRXJGBWUJFSP-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.86
Rot. Bonds3

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

N-(3-methylphenyl)-3-phenylcinnoline-4-carboxamide (PubChem CID 46288086) has the molecular formula C22H17N3O and a molecular weight of 339.40 g/mol. Its IUPAC name is N-(3-methylphenyl)-3-phenylcinnoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-3-phenylcinnoline-4-carboxamide
PubChem CID46288086
Molecular FormulaC22H17N3O
Molecular Weight339.40 g/mol
Exact Mass339.14
IUPAC NameN-(3-methylphenyl)-3-phenylcinnoline-4-carboxamide
SMILESCc1cccc(NC(=O)c2c(-c3ccccc3)nnc3ccccc23)c1
InChIInChI=1S/C22H17N3O/c1-15-8-7-11-17(14-15)23-22(26)20-18-12-5-6-13-19(18)24-25-21(20)16-9-3-2-4-10-16/h2-14H,1H3,(H,23,26)
InChIKeyGYFRXJGBWUJFSP-UHFFFAOYSA-N
XLogP4.86
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[3-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]phenyl]-2-phenylquinoline-4-carboxamide
CID 3540473
N-(4-chloro-2-methylphenyl)-3-phenylcinnoline-4-carboxamide
CID 46288080
N-(3,4-dimethoxyphenyl)-6-methyl-3-phenylcinnoline-4-carboxamide
CID 46288104
N-(4-ethoxyphenyl)-3-phenylcinnoline-4-carboxamide
CID 46287991
N-(5-chloro-2-methylphenyl)-3-phenylcinnoline-4-carboxamide
CID 46288093
N-(2,4-dimethoxyphenyl)-3-phenylcinnoline-4-carboxamide
CID 46287961
N-(3-methylphenyl)-4,6-diphenylpyrimidine-2-carboxamide
CID 3456434
6-N-(3-methylphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099953
2,6-dihydroxy-N-(3-methylphenyl)benzamide
CID 103748871
2-methyl-N-(3-methylphenyl)-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide
CID 110681208
N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-methylphenyl)cinnoline-4-carboxamide
CID 46287876
3-methyl-2-(4-methylphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide
CID 4642101

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-3-phenylcinnoline-4-carboxamide?
The IUPAC name of N-(3-methylphenyl)-3-phenylcinnoline-4-carboxamide (CID 46288086) is N-(3-methylphenyl)-3-phenylcinnoline-4-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-3-phenylcinnoline-4-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-3-phenylcinnoline-4-carboxamide is Cc1cccc(NC(=O)c2c(-c3ccccc3)nnc3ccccc23)c1.
What is the InChIKey of N-(3-methylphenyl)-3-phenylcinnoline-4-carboxamide?
The InChIKey is GYFRXJGBWUJFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O/c1-15-8-7-11-17(14-15)23-22(26)20-18-12-5-6-13-19(18)24-25-21(20)16-9-3-2-4-10-16/h2-14H,1H3,(H,23,26).
What are the key properties of N-(3-methylphenyl)-3-phenylcinnoline-4-carboxamide?
N-(3-methylphenyl)-3-phenylcinnoline-4-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-3-phenylcinnoline-4-carboxamide is sourced from PubChem (CID 46288086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).