N-(2,4-dimethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide

C28H22N2O3 — CID 2353292

IUPACN-(2,4-dimethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3cccc4ccccc34)nc3ccccc23)c(OC)c1
InChIInChI=1S/C28H22N2O3/c1-32-19-14-15-25(27(16-19)33-2)30-28(31)23-17-26(29-24-13-6-5-11-22(23)24)21-12-7-9-18-8-3-4-10-20(18)21/h3-17H,1-2H3,(H,30,31)
InChIKeyAGZJBBFWJPAMPB-UHFFFAOYSA-N
MW434.50 g/mol
LogP6.32
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide

N-(2,4-dimethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide (PubChem CID 2353292) has the molecular formula C28H22N2O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide
PubChem CID2353292
Molecular FormulaC28H22N2O3
Molecular Weight434.50 g/mol
Exact Mass434.16
IUPAC NameN-(2,4-dimethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3cccc4ccccc34)nc3ccccc23)c(OC)c1
InChIInChI=1S/C28H22N2O3/c1-32-19-14-15-25(27(16-19)33-2)30-28(31)23-17-26(29-24-13-6-5-11-22(23)24)21-12-7-9-18-8-3-4-10-20(18)21/h3-17H,1-2H3,(H,30,31)
InChIKeyAGZJBBFWJPAMPB-UHFFFAOYSA-N
XLogP6.32
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.50
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxamide
CID 997833
2-(2,4-dimethoxyphenyl)-N-(2-methoxy-4-nitrophenyl)quinoline-4-carboxamide
CID 2933028
N-(2,4-dimethoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 998090
N-(2-ethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide
CID 2353296
2-(2,4-dimethoxyphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide
CID 4659976
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-chlorophenyl)quinoline-4-carboxamide
CID 2164864
N-(2-carbamoylphenyl)-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 1225718
2-(2,4-dimethoxyphenyl)-N-(3-fluorophenyl)quinoline-4-carboxamide
CID 1000946
2-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)quinoline-4-carboxamide
CID 4193084
N-(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 4150006
2-(2,4-dimethoxyphenyl)-N-[4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]cyclohexyl]quinoline-4-carboxamide
CID 3575528
methyl 4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]benzoate
CID 3464523

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide (CID 2353292) is N-(2,4-dimethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide is COc1ccc(NC(=O)c2cc(-c3cccc4ccccc34)nc3ccccc23)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide?
The InChIKey is AGZJBBFWJPAMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O3/c1-32-19-14-15-25(27(16-19)33-2)30-28(31)23-17-26(29-24-13-6-5-11-22(23)24)21-12-7-9-18-8-3-4-10-20(18)21/h3-17H,1-2H3,(H,30,31).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide?
N-(2,4-dimethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 6.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide is sourced from PubChem (CID 2353292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).