6-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethylquinoline-3-carboxamide

C21H22ClN3O — CID 36933832

IUPAC6-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethylquinoline-3-carboxamide
SMILESCc1nc2ccc(Cl)cc2cc1C(=O)N(C)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C21H22ClN3O/c1-14-19(12-16-11-17(22)7-10-20(16)23-14)21(26)25(4)13-15-5-8-18(9-6-15)24(2)3/h5-12H,13H2,1-4H3
InChIKeyRMTLMOOXDNZBHQ-UHFFFAOYSA-N
MW367.88 g/mol
LogP4.53
Rot. Bonds4

About 6-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethylquinoline-3-carboxamide

6-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethylquinoline-3-carboxamide (PubChem CID 36933832) has the molecular formula C21H22ClN3O and a molecular weight of 367.88 g/mol. Its IUPAC name is 6-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethylquinoline-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethylquinoline-3-carboxamide
PubChem CID36933832
Molecular FormulaC21H22ClN3O
Molecular Weight367.88 g/mol
Exact Mass367.15
IUPAC Name6-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethylquinoline-3-carboxamide
SMILESCc1nc2ccc(Cl)cc2cc1C(=O)N(C)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C21H22ClN3O/c1-14-19(12-16-11-17(22)7-10-20(16)23-14)21(26)25(4)13-15-5-8-18(9-6-15)24(2)3/h5-12H,13H2,1-4H3
InChIKeyRMTLMOOXDNZBHQ-UHFFFAOYSA-N
XLogP4.53
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N,2-dimethyl-N-[(4-methylsulfanylphenyl)methyl]quinoline-3-carboxamide
CID 41377691
N-[(1-benzylpyrazol-4-yl)methyl]-6-chloro-N,2-dimethylquinoline-3-carboxamide
CID 33258382
6-chloro-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,2-dimethylquinoline-3-carboxamide
CID 43036888
6-methoxy-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide
CID 36917170
7-methoxy-N,2-dimethyl-N-[(4-methylphenyl)methyl]quinoline-3-carboxamide
CID 18114437
N-[(4-chlorophenyl)methyl]-3-(dimethylamino)-N-methylbenzamide
CID 78768490
5-chloro-2-hydrazinyl-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 62236200
N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethyl-6-phenylpyridine-3-carboxamide
CID 43035328
6-chloro-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethylquinoline-3-carboxamide
CID 55474720
6-chloro-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N,2-dimethylquinoline-3-carboxamide
CID 31984219
6-chloro-N-[(4-fluorophenyl)methyl]-2-methylquinoline-3-carboxamide
CID 41377444
N-[(4-chlorophenyl)methyl]-N,2,5-trimethylbenzamide
CID 100542363

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethylquinoline-3-carboxamide?
The IUPAC name of 6-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethylquinoline-3-carboxamide (CID 36933832) is 6-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethylquinoline-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethylquinoline-3-carboxamide?
The canonical SMILES for 6-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethylquinoline-3-carboxamide is Cc1nc2ccc(Cl)cc2cc1C(=O)N(C)Cc1ccc(N(C)C)cc1.
What is the InChIKey of 6-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethylquinoline-3-carboxamide?
The InChIKey is RMTLMOOXDNZBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O/c1-14-19(12-16-11-17(22)7-10-20(16)23-14)21(26)25(4)13-15-5-8-18(9-6-15)24(2)3/h5-12H,13H2,1-4H3.
What are the key properties of 6-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethylquinoline-3-carboxamide?
6-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethylquinoline-3-carboxamide has a molecular weight of 367.88 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethylquinoline-3-carboxamide is sourced from PubChem (CID 36933832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).