N-(2,4-dimethoxyphenyl)-3-phenylcinnoline-4-carboxamide

C23H19N3O3 — CID 46287961

IUPACN-(2,4-dimethoxyphenyl)-3-phenylcinnoline-4-carboxamide
SMILESCOc1ccc(NC(=O)c2c(-c3ccccc3)nnc3ccccc23)c(OC)c1
InChIInChI=1S/C23H19N3O3/c1-28-16-12-13-19(20(14-16)29-2)24-23(27)21-17-10-6-7-11-18(17)25-26-22(21)15-8-4-3-5-9-15/h3-14H,1-2H3,(H,24,27)
InChIKeyKOKGRHWRPKCGLG-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.57
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-3-phenylcinnoline-4-carboxamide

N-(2,4-dimethoxyphenyl)-3-phenylcinnoline-4-carboxamide (PubChem CID 46287961) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-phenylcinnoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-phenylcinnoline-4-carboxamide
PubChem CID46287961
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC NameN-(2,4-dimethoxyphenyl)-3-phenylcinnoline-4-carboxamide
SMILESCOc1ccc(NC(=O)c2c(-c3ccccc3)nnc3ccccc23)c(OC)c1
InChIInChI=1S/C23H19N3O3/c1-28-16-12-13-19(20(14-16)29-2)24-23(27)21-17-10-6-7-11-18(17)25-26-22(21)15-8-4-3-5-9-15/h3-14H,1-2H3,(H,24,27)
InChIKeyKOKGRHWRPKCGLG-UHFFFAOYSA-N
XLogP4.57
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-methylphenyl)cinnoline-4-carboxamide
CID 46287876
N-(2,4-dimethoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 862181
N-(4-chloro-2-methylphenyl)-3-phenylcinnoline-4-carboxamide
CID 46288080
N-(2,4-dimethoxyphenyl)-4-phenylbenzamide
CID 602380
N-(2,4-dimethoxyphenyl)-2-methyl-1-benzofuran-3-carboxamide
CID 110703181
2-(4-chlorophenyl)-N-[4-[4-[[2-(4-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]-3-methylquinoline-4-carboxamide
CID 3533143
N-(3-methylphenyl)-3-phenylcinnoline-4-carboxamide
CID 46288086
N-(3,4-dimethoxyphenyl)-6-methyl-3-phenylcinnoline-4-carboxamide
CID 46288104
N-(2,4-dimethoxyphenyl)-3-methoxyquinoxaline-2-carboxamide
CID 50780781
N-(2,4-dimethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide
CID 2353292
N-(2,4-difluorophenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 1291424
N-(2,4-dimethoxyphenyl)phenazine-1-carboxamide
CID 16824395

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-phenylcinnoline-4-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-phenylcinnoline-4-carboxamide (CID 46287961) is N-(2,4-dimethoxyphenyl)-3-phenylcinnoline-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-phenylcinnoline-4-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-phenylcinnoline-4-carboxamide is COc1ccc(NC(=O)c2c(-c3ccccc3)nnc3ccccc23)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-phenylcinnoline-4-carboxamide?
The InChIKey is KOKGRHWRPKCGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-28-16-12-13-19(20(14-16)29-2)24-23(27)21-17-10-6-7-11-18(17)25-26-22(21)15-8-4-3-5-9-15/h3-14H,1-2H3,(H,24,27).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-phenylcinnoline-4-carboxamide?
N-(2,4-dimethoxyphenyl)-3-phenylcinnoline-4-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-phenylcinnoline-4-carboxamide is sourced from PubChem (CID 46287961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).