N-(3,4-dimethoxyphenyl)-6-methyl-3-phenylcinnoline-4-carboxamide

C24H21N3O3 — CID 46288104

IUPACN-(3,4-dimethoxyphenyl)-6-methyl-3-phenylcinnoline-4-carboxamide
SMILESCOc1ccc(NC(=O)c2c(-c3ccccc3)nnc3ccc(C)cc23)cc1OC
InChIInChI=1S/C24H21N3O3/c1-15-9-11-19-18(13-15)22(23(27-26-19)16-7-5-4-6-8-16)24(28)25-17-10-12-20(29-2)21(14-17)30-3/h4-14H,1-3H3,(H,25,28)
InChIKeyYZCYYMQTUKHYNN-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.87
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-6-methyl-3-phenylcinnoline-4-carboxamide

N-(3,4-dimethoxyphenyl)-6-methyl-3-phenylcinnoline-4-carboxamide (PubChem CID 46288104) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-6-methyl-3-phenylcinnoline-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-6-methyl-3-phenylcinnoline-4-carboxamide
PubChem CID46288104
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC NameN-(3,4-dimethoxyphenyl)-6-methyl-3-phenylcinnoline-4-carboxamide
SMILESCOc1ccc(NC(=O)c2c(-c3ccccc3)nnc3ccc(C)cc23)cc1OC
InChIInChI=1S/C24H21N3O3/c1-15-9-11-19-18(13-15)22(23(27-26-19)16-7-5-4-6-8-16)24(28)25-17-10-12-20(29-2)21(14-17)30-3/h4-14H,1-3H3,(H,25,28)
InChIKeyYZCYYMQTUKHYNN-UHFFFAOYSA-N
XLogP4.87
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylphenyl)-3-phenylcinnoline-4-carboxamide
CID 46288086
N-(3,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2366225
N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-methylphenyl)cinnoline-4-carboxamide
CID 46287876
N-(3-ethoxypropyl)-6-methyl-3-phenylcinnoline-4-carboxamide
CID 46288149
N-(4-ethoxyphenyl)-3-phenylcinnoline-4-carboxamide
CID 46287991
N-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]benzamide
CID 53001311
N-(3,4-dimethoxyphenyl)-2-iodo-4-methylbenzamide
CID 100523566
3-(3-bromophenyl)-N-(3,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805848
3-(2,6-dichlorophenyl)-N-(3,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 177376733
N'-(3,4-dimethoxyphenyl)-N-phenyloxamide
CID 44999686
N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 1245318
N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582479

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-6-methyl-3-phenylcinnoline-4-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-6-methyl-3-phenylcinnoline-4-carboxamide (CID 46288104) is N-(3,4-dimethoxyphenyl)-6-methyl-3-phenylcinnoline-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-6-methyl-3-phenylcinnoline-4-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-6-methyl-3-phenylcinnoline-4-carboxamide is COc1ccc(NC(=O)c2c(-c3ccccc3)nnc3ccc(C)cc23)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-6-methyl-3-phenylcinnoline-4-carboxamide?
The InChIKey is YZCYYMQTUKHYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-15-9-11-19-18(13-15)22(23(27-26-19)16-7-5-4-6-8-16)24(28)25-17-10-12-20(29-2)21(14-17)30-3/h4-14H,1-3H3,(H,25,28).
What are the key properties of N-(3,4-dimethoxyphenyl)-6-methyl-3-phenylcinnoline-4-carboxamide?
N-(3,4-dimethoxyphenyl)-6-methyl-3-phenylcinnoline-4-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-6-methyl-3-phenylcinnoline-4-carboxamide is sourced from PubChem (CID 46288104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).