N-(5-chloro-2-methylphenyl)-3-phenylcinnoline-4-carboxamide

C22H16ClN3O — CID 46288093

IUPACN-(5-chloro-2-methylphenyl)-3-phenylcinnoline-4-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1c(-c2ccccc2)nnc2ccccc12
InChIInChI=1S/C22H16ClN3O/c1-14-11-12-16(23)13-19(14)24-22(27)20-17-9-5-6-10-18(17)25-26-21(20)15-7-3-2-4-8-15/h2-13H,1H3,(H,24,27)
InChIKeyHSRBAXPEIVBNJJ-UHFFFAOYSA-N
MW373.84 g/mol
LogP5.51
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-3-phenylcinnoline-4-carboxamide

N-(5-chloro-2-methylphenyl)-3-phenylcinnoline-4-carboxamide (PubChem CID 46288093) has the molecular formula C22H16ClN3O and a molecular weight of 373.84 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-3-phenylcinnoline-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-3-phenylcinnoline-4-carboxamide
PubChem CID46288093
Molecular FormulaC22H16ClN3O
Molecular Weight373.84 g/mol
Exact Mass373.10
IUPAC NameN-(5-chloro-2-methylphenyl)-3-phenylcinnoline-4-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1c(-c2ccccc2)nnc2ccccc12
InChIInChI=1S/C22H16ClN3O/c1-14-11-12-16(23)13-19(14)24-22(27)20-17-9-5-6-10-18(17)25-26-21(20)15-7-3-2-4-8-15/h2-13H,1H3,(H,24,27)
InChIKeyHSRBAXPEIVBNJJ-UHFFFAOYSA-N
XLogP5.51
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.84
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methylphenyl)-3-phenylcinnoline-4-carboxamide
CID 46288080
N-(3-methylphenyl)-3-phenylcinnoline-4-carboxamide
CID 46288086
N-(2,4-dimethoxyphenyl)-3-phenylcinnoline-4-carboxamide
CID 46287961
N-(5-chloro-2-methylphenyl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108790914
N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-methylphenyl)cinnoline-4-carboxamide
CID 46287876
N-(5-chloro-2-methylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 100771839
methyl 3-(4-chlorophenyl)cinnoline-4-carboxylate
CID 164575604
N-(5-chloro-2-methylphenyl)-2-phenylbenzamide
CID 976295
N-(5-chloro-2-methylphenyl)-2,4,6-trimethylbenzamide
CID 675121
N-(4-ethoxyphenyl)-3-phenylcinnoline-4-carboxamide
CID 46287991
N-(3-chloro-4-methylphenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide
CID 3279592
N-(5-chloro-2-methylphenyl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 43854702

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-3-phenylcinnoline-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-3-phenylcinnoline-4-carboxamide (CID 46288093) is N-(5-chloro-2-methylphenyl)-3-phenylcinnoline-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-3-phenylcinnoline-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-3-phenylcinnoline-4-carboxamide is Cc1ccc(Cl)cc1NC(=O)c1c(-c2ccccc2)nnc2ccccc12.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-3-phenylcinnoline-4-carboxamide?
The InChIKey is HSRBAXPEIVBNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O/c1-14-11-12-16(23)13-19(14)24-22(27)20-17-9-5-6-10-18(17)25-26-21(20)15-7-3-2-4-8-15/h2-13H,1H3,(H,24,27).
What are the key properties of N-(5-chloro-2-methylphenyl)-3-phenylcinnoline-4-carboxamide?
N-(5-chloro-2-methylphenyl)-3-phenylcinnoline-4-carboxamide has a molecular weight of 373.84 g/mol, XLogP of 5.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-3-phenylcinnoline-4-carboxamide is sourced from PubChem (CID 46288093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).