N-(2-methoxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide

C20H20N2O2 — CID 4795719

IUPACN-(2-methoxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide
SMILESCOCCNC(=O)c1cc(-c2ccccc2)nc2ccc(C)cc12
InChIInChI=1S/C20H20N2O2/c1-14-8-9-18-16(12-14)17(20(23)21-10-11-24-2)13-19(22-18)15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,21,23)
InChIKeyLWDXVLMTSRECEM-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.59
Rot. Bonds5

About N-(2-methoxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide

N-(2-methoxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide (PubChem CID 4795719) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide
PubChem CID4795719
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-(2-methoxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide
SMILESCOCCNC(=O)c1cc(-c2ccccc2)nc2ccc(C)cc12
InChIInChI=1S/C20H20N2O2/c1-14-8-9-18-16(12-14)17(20(23)21-10-11-24-2)13-19(22-18)15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,21,23)
InChIKeyLWDXVLMTSRECEM-UHFFFAOYSA-N
XLogP3.59
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-acetamidophenyl)-N-(3-methoxypropyl)-6-methylquinoline-4-carboxamide
CID 46375371
N-ethoxy-6-methyl-2-phenylquinoline-4-carboxamide
CID 31098936
2-(4-methoxyphenyl)-6-methyl-N-pentylquinoline-4-carboxamide
CID 42749978
2-(4-methoxyphenyl)-6-methyl-N-(3-methylbutyl)quinoline-4-carboxamide
CID 42749977
N-(3-methoxypropyl)-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 42749642
N-(3,3-diphenylpropyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 3397561
6-methyl-N-(2-methylnaphthalen-1-yl)-2-phenylquinoline-4-carboxamide
CID 3165781
2-(4-methoxyphenyl)-N-(3-methoxypropyl)quinoline-4-carboxamide
CID 2078342
4-methoxy-N-(2-methoxyethyl)-2-(4-methylphenyl)quinoline-6-carboxamide
CID 46319106
N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 24542876
N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518443
N-[2-[(2-methylbenzoyl)amino]ethyl]-2-phenylquinoline-4-carboxamide
CID 8991019

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide (CID 4795719) is N-(2-methoxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide is COCCNC(=O)c1cc(-c2ccccc2)nc2ccc(C)cc12.
What is the InChIKey of N-(2-methoxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide?
The InChIKey is LWDXVLMTSRECEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-14-8-9-18-16(12-14)17(20(23)21-10-11-24-2)13-19(22-18)15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,21,23).
What are the key properties of N-(2-methoxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide?
N-(2-methoxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 4795719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).