2-(4-methoxyphenyl)-N-(3-methoxypropyl)quinoline-4-carboxamide

C21H22N2O3 — CID 2078342

IUPAC2-(4-methoxyphenyl)-N-(3-methoxypropyl)quinoline-4-carboxamide
SMILESCOCCCNC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12
InChIInChI=1S/C21H22N2O3/c1-25-13-5-12-22-21(24)18-14-20(15-8-10-16(26-2)11-9-15)23-19-7-4-3-6-17(18)19/h3-4,6-11,14H,5,12-13H2,1-2H3,(H,22,24)
InChIKeyZFTUZWFNMVJAHR-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.68
Rot. Bonds7

About 2-(4-methoxyphenyl)-N-(3-methoxypropyl)quinoline-4-carboxamide

2-(4-methoxyphenyl)-N-(3-methoxypropyl)quinoline-4-carboxamide (PubChem CID 2078342) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(3-methoxypropyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(3-methoxypropyl)quinoline-4-carboxamide
PubChem CID2078342
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name2-(4-methoxyphenyl)-N-(3-methoxypropyl)quinoline-4-carboxamide
SMILESCOCCCNC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12
InChIInChI=1S/C21H22N2O3/c1-25-13-5-12-22-21(24)18-14-20(15-8-10-16(26-2)11-9-15)23-19-7-4-3-6-17(18)19/h3-4,6-11,14H,5,12-13H2,1-2H3,(H,22,24)
InChIKeyZFTUZWFNMVJAHR-UHFFFAOYSA-N
XLogP3.68
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336
2-(4-ethoxyphenyl)-N-[2-(4-methoxyphenoxy)ethyl]quinoline-4-carboxamide
CID 46098671
N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 24542876
2-(4-chlorophenyl)-N-[3-(2-methoxyethoxy)propyl]quinoline-4-carboxamide
CID 55407847
2-(4-methoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]propyl]quinoline-4-carboxamide
CID 46480420
2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5101494
2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 2666564
N-[2-(ethylamino)-2-oxoethyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 9224382
2-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)quinoline-4-carboxamide
CID 4193084
2-(4-methoxyphenyl)-N-[(2R)-2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 2165480
N-hexyl-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 4540547
1-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-3-pentylthiourea
CID 9220474

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(3-methoxypropyl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(3-methoxypropyl)quinoline-4-carboxamide (CID 2078342) is 2-(4-methoxyphenyl)-N-(3-methoxypropyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(3-methoxypropyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(3-methoxypropyl)quinoline-4-carboxamide is COCCCNC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(3-methoxypropyl)quinoline-4-carboxamide?
The InChIKey is ZFTUZWFNMVJAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-25-13-5-12-22-21(24)18-14-20(15-8-10-16(26-2)11-9-15)23-19-7-4-3-6-17(18)19/h3-4,6-11,14H,5,12-13H2,1-2H3,(H,22,24).
What are the key properties of 2-(4-methoxyphenyl)-N-(3-methoxypropyl)quinoline-4-carboxamide?
2-(4-methoxyphenyl)-N-(3-methoxypropyl)quinoline-4-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(3-methoxypropyl)quinoline-4-carboxamide is sourced from PubChem (CID 2078342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).