6-chloro-N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)quinoline-4-carboxamide

C22H24ClN3O — CID 162676927

IUPAC6-chloro-N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCCN(C)C)c3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C22H24ClN3O/c1-15-5-7-16(8-6-15)21-14-19(22(27)24-11-4-12-26(2)3)18-13-17(23)9-10-20(18)25-21/h5-10,13-14H,4,11-12H2,1-3H3,(H,24,27)
InChIKeyDMDBCRAEPYAOLG-UHFFFAOYSA-N
MW381.91 g/mol
LogP4.55
Rot. Bonds6

About 6-chloro-N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)quinoline-4-carboxamide

6-chloro-N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)quinoline-4-carboxamide (PubChem CID 162676927) has the molecular formula C22H24ClN3O and a molecular weight of 381.91 g/mol. Its IUPAC name is 6-chloro-N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)quinoline-4-carboxamide
PubChem CID162676927
Molecular FormulaC22H24ClN3O
Molecular Weight381.91 g/mol
Exact Mass381.16
IUPAC Name6-chloro-N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCCN(C)C)c3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C22H24ClN3O/c1-15-5-7-16(8-6-15)21-14-19(22(27)24-11-4-12-26(2)3)18-13-17(23)9-10-20(18)25-21/h5-10,13-14H,4,11-12H2,1-3H3,(H,24,27)
InChIKeyDMDBCRAEPYAOLG-UHFFFAOYSA-N
XLogP4.55
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.91
LogP ≤ 54.55
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-[3-(dimethylamino)propyl]-2-(4-ethylphenyl)quinoline-4-carboxamide
CID 3471977
N-[3-[bis(methylsulfonyl)amino]propyl]-7-chloro-2-phenylquinoline-4-carboxamide;hydrochloride
CID 90462549
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
2-(4-methoxyphenyl)-6-methyl-N-pentylquinoline-4-carboxamide
CID 42749978
6-chloro-N-[(4-chlorophenyl)methyl]-2-phenylquinoline-4-carboxamide
CID 4632644
N-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 2333756
2-(4-chlorophenyl)-N-[3-(2-methoxyethoxy)propyl]quinoline-4-carboxamide
CID 55407847
2-(4-acetamidophenyl)-N-(3-methoxypropyl)-6-methylquinoline-4-carboxamide
CID 46375371
N-(2-methoxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide
CID 4795719
N-butyl-2-(2-chlorophenyl)-6-methylquinoline-4-carboxamide
CID 3625064
2-(5-bromothiophen-2-yl)-N-[3-(dimethylamino)propyl]quinoline-4-carboxamide
CID 15991683
N-[2-(dimethylamino)ethyl]-2-(4-propylphenyl)quinoline-4-carboxamide
CID 1261381

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of 6-chloro-N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)quinoline-4-carboxamide (CID 162676927) is 6-chloro-N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 6-chloro-N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for 6-chloro-N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)NCCCN(C)C)c3cc(Cl)ccc3n2)cc1.
What is the InChIKey of 6-chloro-N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)quinoline-4-carboxamide?
The InChIKey is DMDBCRAEPYAOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O/c1-15-5-7-16(8-6-15)21-14-19(22(27)24-11-4-12-26(2)3)18-13-17(23)9-10-20(18)25-21/h5-10,13-14H,4,11-12H2,1-3H3,(H,24,27).
What are the key properties of 6-chloro-N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)quinoline-4-carboxamide?
6-chloro-N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)quinoline-4-carboxamide has a molecular weight of 381.91 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 162676927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).