N-(2-ethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide

C28H22N2O2 — CID 2353296

IUPACN-(2-ethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cc(-c2cccc3ccccc23)nc2ccccc12
InChIInChI=1S/C28H22N2O2/c1-2-32-27-17-8-7-16-25(27)30-28(31)23-18-26(29-24-15-6-5-13-22(23)24)21-14-9-11-19-10-3-4-12-20(19)21/h3-18H,2H2,1H3,(H,30,31)
InChIKeyMQWHMAJPKWHXEG-UHFFFAOYSA-N
MW418.50 g/mol
LogP6.71
Rot. Bonds5

About N-(2-ethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide

N-(2-ethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide (PubChem CID 2353296) has the molecular formula C28H22N2O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide
PubChem CID2353296
Molecular FormulaC28H22N2O2
Molecular Weight418.50 g/mol
Exact Mass418.17
IUPAC NameN-(2-ethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cc(-c2cccc3ccccc23)nc2ccccc12
InChIInChI=1S/C28H22N2O2/c1-2-32-27-17-8-7-16-25(27)30-28(31)23-18-26(29-24-15-6-5-13-22(23)24)21-14-9-11-19-10-3-4-12-20(19)21/h3-18H,2H2,1H3,(H,30,31)
InChIKeyMQWHMAJPKWHXEG-UHFFFAOYSA-N
XLogP6.71
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylphenyl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide
CID 5239510
N-(2-ethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 3391261
2-(3,4-dichlorophenyl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide
CID 4611145
2-(5-chlorothiophen-2-yl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide
CID 4152465
N-(2,4-dimethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide
CID 2353292
2-(2-chlorophenyl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide
CID 3599973
2-(4-ethoxyphenyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 4649173
N-(2,5-diethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 50798247
methyl 2-[[2-(2-methoxyphenyl)quinoline-4-carbonyl]amino]benzoate
CID 1012430
N-(2-acetamidoethyl)-2-naphthalen-1-ylquinoline-4-carboxamide
CID 24687149
1-(2-naphthalen-1-ylquinolin-4-yl)ethanone
CID 140742402
N-(2-ethoxyphenyl)-1-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44822777

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide (CID 2353296) is N-(2-ethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide is CCOc1ccccc1NC(=O)c1cc(-c2cccc3ccccc23)nc2ccccc12.
What is the InChIKey of N-(2-ethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide?
The InChIKey is MQWHMAJPKWHXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O2/c1-2-32-27-17-8-7-16-25(27)30-28(31)23-18-26(29-24-15-6-5-13-22(23)24)21-14-9-11-19-10-3-4-12-20(19)21/h3-18H,2H2,1H3,(H,30,31).
What are the key properties of N-(2-ethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide?
N-(2-ethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 6.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide is sourced from PubChem (CID 2353296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).