2-(3,4-dimethoxyphenyl)-N-naphthalen-1-ylquinoline-4-carboxamide

C28H22N2O3 — CID 3253298

IUPAC2-(3,4-dimethoxyphenyl)-N-naphthalen-1-ylquinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cccc4ccccc34)c3ccccc3n2)cc1OC
InChIInChI=1S/C28H22N2O3/c1-32-26-15-14-19(16-27(26)33-2)25-17-22(21-11-5-6-12-24(21)29-25)28(31)30-23-13-7-9-18-8-3-4-10-20(18)23/h3-17H,1-2H3,(H,30,31)
InChIKeyCVTXDIRMWLHWDZ-UHFFFAOYSA-N
MW434.50 g/mol
LogP6.32
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-N-naphthalen-1-ylquinoline-4-carboxamide

2-(3,4-dimethoxyphenyl)-N-naphthalen-1-ylquinoline-4-carboxamide (PubChem CID 3253298) has the molecular formula C28H22N2O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-naphthalen-1-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-naphthalen-1-ylquinoline-4-carboxamide
PubChem CID3253298
Molecular FormulaC28H22N2O3
Molecular Weight434.50 g/mol
Exact Mass434.16
IUPAC Name2-(3,4-dimethoxyphenyl)-N-naphthalen-1-ylquinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cccc4ccccc34)c3ccccc3n2)cc1OC
InChIInChI=1S/C28H22N2O3/c1-32-26-15-14-19(16-27(26)33-2)25-17-22(21-11-5-6-12-24(21)29-25)28(31)30-23-13-7-9-18-8-3-4-10-20(18)23/h3-17H,1-2H3,(H,30,31)
InChIKeyCVTXDIRMWLHWDZ-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

2-(3,4-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 2161835
2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4557332
2-(3,4-dimethoxyphenyl)-N-(3-ethylphenyl)quinoline-4-carboxamide
CID 4207709
N-(4,5-dimethoxy-2-methylphenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 7923987
2-(3,4-dimethoxyphenyl)-N-(4-methyl-2-nitrophenyl)quinoline-4-carboxamide
CID 2930791
N-(4-carbamoyl-3-methylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 56516872
ethyl 4-[[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]benzoate
CID 4580773
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 55908058
N-(2-chloro-4,6-dimethylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 16550601
N-(3-carbamoylthiophen-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 2108810
N-(2-bromophenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 42993277
2-(3,4-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide
CID 1273223

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-naphthalen-1-ylquinoline-4-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-naphthalen-1-ylquinoline-4-carboxamide (CID 3253298) is 2-(3,4-dimethoxyphenyl)-N-naphthalen-1-ylquinoline-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-naphthalen-1-ylquinoline-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-naphthalen-1-ylquinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)Nc3cccc4ccccc34)c3ccccc3n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-naphthalen-1-ylquinoline-4-carboxamide?
The InChIKey is CVTXDIRMWLHWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O3/c1-32-26-15-14-19(16-27(26)33-2)25-17-22(21-11-5-6-12-24(21)29-25)28(31)30-23-13-7-9-18-8-3-4-10-20(18)23/h3-17H,1-2H3,(H,30,31).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-naphthalen-1-ylquinoline-4-carboxamide?
2-(3,4-dimethoxyphenyl)-N-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 2-(3,4-dimethoxyphenyl)-N-naphthalen-1-ylquinoline-4-carboxamide is sourced from PubChem (CID 3253298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).