N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-methylphenyl)cinnoline-4-carboxamide

C24H20ClN3O3 — CID 46287876

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-3-(4-methylphenyl)cinnoline-4-carboxamide
SMILESCOc1cc(OC)c(NC(=O)c2c(-c3ccc(C)cc3)nnc3ccccc23)cc1Cl
InChIInChI=1S/C24H20ClN3O3/c1-14-8-10-15(11-9-14)23-22(16-6-4-5-7-18(16)27-28-23)24(29)26-19-12-17(25)20(30-2)13-21(19)31-3/h4-13H,1-3H3,(H,26,29)
InChIKeyKNHPCFLZGMYQCF-UHFFFAOYSA-N
MW433.90 g/mol
LogP5.53
Rot. Bonds5

About N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-methylphenyl)cinnoline-4-carboxamide

N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-methylphenyl)cinnoline-4-carboxamide (PubChem CID 46287876) has the molecular formula C24H20ClN3O3 and a molecular weight of 433.90 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-methylphenyl)cinnoline-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-3-(4-methylphenyl)cinnoline-4-carboxamide
PubChem CID46287876
Molecular FormulaC24H20ClN3O3
Molecular Weight433.90 g/mol
Exact Mass433.12
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-3-(4-methylphenyl)cinnoline-4-carboxamide
SMILESCOc1cc(OC)c(NC(=O)c2c(-c3ccc(C)cc3)nnc3ccccc23)cc1Cl
InChIInChI=1S/C24H20ClN3O3/c1-14-8-10-15(11-9-14)23-22(16-6-4-5-7-18(16)27-28-23)24(29)26-19-12-17(25)20(30-2)13-21(19)31-3/h4-13H,1-3H3,(H,26,29)
InChIKeyKNHPCFLZGMYQCF-UHFFFAOYSA-N
XLogP5.53
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.90
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-3-phenylcinnoline-4-carboxamide
CID 46287961
N-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 1246987
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-(5-chloro-2,4-dimethoxyphenyl)-2-methylquinoline-4-carboxamide
CID 26210631
N-(5-chloro-2-methylphenyl)-3-phenylcinnoline-4-carboxamide
CID 46288093
N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)cinnoline-4-carboxamide
CID 46287953
N-(3,4-dimethoxyphenyl)-6-methyl-3-phenylcinnoline-4-carboxamide
CID 46288104
N-(4-chloro-2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 78813029
N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257
N-(3-methylphenyl)-3-phenylcinnoline-4-carboxamide
CID 46288086
methyl 3-(4-chlorophenyl)cinnoline-4-carboxylate
CID 164575604
N-(5-chloro-2,4-dimethoxyphenyl)naphthalene-1-carboxamide
CID 823910

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-methylphenyl)cinnoline-4-carboxamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-methylphenyl)cinnoline-4-carboxamide (CID 46287876) is N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-methylphenyl)cinnoline-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-methylphenyl)cinnoline-4-carboxamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-methylphenyl)cinnoline-4-carboxamide is COc1cc(OC)c(NC(=O)c2c(-c3ccc(C)cc3)nnc3ccccc23)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-methylphenyl)cinnoline-4-carboxamide?
The InChIKey is KNHPCFLZGMYQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O3/c1-14-8-10-15(11-9-14)23-22(16-6-4-5-7-18(16)27-28-23)24(29)26-19-12-17(25)20(30-2)13-21(19)31-3/h4-13H,1-3H3,(H,26,29).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-methylphenyl)cinnoline-4-carboxamide?
N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-methylphenyl)cinnoline-4-carboxamide has a molecular weight of 433.90 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-methylphenyl)cinnoline-4-carboxamide is sourced from PubChem (CID 46287876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).