N-[3-(dimethylamino)propyl]-2-(4-ethylphenyl)quinoline-4-carboxamide

C23H27N3O — CID 3471977

IUPACN-[3-(dimethylamino)propyl]-2-(4-ethylphenyl)quinoline-4-carboxamide
SMILESCCc1ccc(-c2cc(C(=O)NCCCN(C)C)c3ccccc3n2)cc1
InChIInChI=1S/C23H27N3O/c1-4-17-10-12-18(13-11-17)22-16-20(19-8-5-6-9-21(19)25-22)23(27)24-14-7-15-26(2)3/h5-6,8-13,16H,4,7,14-15H2,1-3H3,(H,24,27)
InChIKeyJCEXGJYUTCGKNA-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.15
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-2-(4-ethylphenyl)quinoline-4-carboxamide

N-[3-(dimethylamino)propyl]-2-(4-ethylphenyl)quinoline-4-carboxamide (PubChem CID 3471977) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-(4-ethylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-(4-ethylphenyl)quinoline-4-carboxamide
PubChem CID3471977
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC NameN-[3-(dimethylamino)propyl]-2-(4-ethylphenyl)quinoline-4-carboxamide
SMILESCCc1ccc(-c2cc(C(=O)NCCCN(C)C)c3ccccc3n2)cc1
InChIInChI=1S/C23H27N3O/c1-4-17-10-12-18(13-11-17)22-16-20(19-8-5-6-9-21(19)25-22)23(27)24-14-7-15-26(2)3/h5-6,8-13,16H,4,7,14-15H2,1-3H3,(H,24,27)
InChIKeyJCEXGJYUTCGKNA-UHFFFAOYSA-N
XLogP4.15
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.15
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

N-[2-(dimethylamino)ethyl]-2-(4-propylphenyl)quinoline-4-carboxamide
CID 1261381
N-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 2333756
2-(4-ethylphenyl)-N-(2-methylpropyl)quinoline-4-carboxamide
CID 3558127
2-(4-ethylphenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide
CID 4606860
2-(5-bromothiophen-2-yl)-N-[3-(dimethylamino)propyl]quinoline-4-carboxamide
CID 15991683
N-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141
N-[3-[butyl(methyl)amino]propyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 4292431
N-[3-(dimethylamino)propyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512118
N-[2-(diethylamino)ethyl]-2-phenylquinoline-4-carboxamide
CID 2322323
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336
6-chloro-N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 162676927
2-(4-methoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]propyl]quinoline-4-carboxamide
CID 46480420

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-(4-ethylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-(4-ethylphenyl)quinoline-4-carboxamide (CID 3471977) is N-[3-(dimethylamino)propyl]-2-(4-ethylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-(4-ethylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-(4-ethylphenyl)quinoline-4-carboxamide is CCc1ccc(-c2cc(C(=O)NCCCN(C)C)c3ccccc3n2)cc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-(4-ethylphenyl)quinoline-4-carboxamide?
The InChIKey is JCEXGJYUTCGKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-4-17-10-12-18(13-11-17)22-16-20(19-8-5-6-9-21(19)25-22)23(27)24-14-7-15-26(2)3/h5-6,8-13,16H,4,7,14-15H2,1-3H3,(H,24,27).
What are the key properties of N-[3-(dimethylamino)propyl]-2-(4-ethylphenyl)quinoline-4-carboxamide?
N-[3-(dimethylamino)propyl]-2-(4-ethylphenyl)quinoline-4-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-(4-ethylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 3471977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).