N-(4-chlorophenyl)-1-methyl-3,4-dihydro-2H-quinoline-4-carboxamide

C17H17ClN2O — CID 143284729

IUPACN-(4-chlorophenyl)-1-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
SMILESCN1CCC(C(=O)Nc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C17H17ClN2O/c1-20-11-10-15(14-4-2-3-5-16(14)20)17(21)19-13-8-6-12(18)7-9-13/h2-9,15H,10-11H2,1H3,(H,19,21)
InChIKeyUMKFDUPBYHRSMD-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.90
Rot. Bonds2

About N-(4-chlorophenyl)-1-methyl-3,4-dihydro-2H-quinoline-4-carboxamide

N-(4-chlorophenyl)-1-methyl-3,4-dihydro-2H-quinoline-4-carboxamide (PubChem CID 143284729) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-methyl-3,4-dihydro-2H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
PubChem CID143284729
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC NameN-(4-chlorophenyl)-1-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
SMILESCN1CCC(C(=O)Nc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C17H17ClN2O/c1-20-11-10-15(14-4-2-3-5-16(14)20)17(21)19-13-8-6-12(18)7-9-13/h2-9,15H,10-11H2,1H3,(H,19,21)
InChIKeyUMKFDUPBYHRSMD-UHFFFAOYSA-N
XLogP3.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-N-(4-chlorophenyl)-11-methyl-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide
CID 40527090
(3S)-1-methyl-2-oxo-N-phenylpyrrolidine-3-carboxamide
CID 129405236
1-(3-chlorophenyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea
CID 110750893
N-(3-chloro-4-methylphenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
CID 110703047
methyl 7-chloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate
CID 170903361
11-methyl-N-(4-methylphenyl)-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide
CID 4197491
(4S)-N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51478917
N-(4-chlorophenyl)-1-formylpiperidine-4-carboxamide
CID 89385474
N-(4-chlorophenyl)-2-oxocyclohexane-1-carboxamide
CID 581272
2-(2-chlorophenyl)-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetamide
CID 110751426
1-(4-chlorophenyl)-N-[4-(methylcarbamoyl)phenyl]-2-oxopyrrolidine-3-carboxamide
CID 60566893
4-[(4-chlorophenyl)carbamoyl]piperidine-1-carboxylic acid
CID 66651371

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-methyl-3,4-dihydro-2H-quinoline-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-methyl-3,4-dihydro-2H-quinoline-4-carboxamide (CID 143284729) is N-(4-chlorophenyl)-1-methyl-3,4-dihydro-2H-quinoline-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-methyl-3,4-dihydro-2H-quinoline-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-methyl-3,4-dihydro-2H-quinoline-4-carboxamide is CN1CCC(C(=O)Nc2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of N-(4-chlorophenyl)-1-methyl-3,4-dihydro-2H-quinoline-4-carboxamide?
The InChIKey is UMKFDUPBYHRSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-20-11-10-15(14-4-2-3-5-16(14)20)17(21)19-13-8-6-12(18)7-9-13/h2-9,15H,10-11H2,1H3,(H,19,21).
What are the key properties of N-(4-chlorophenyl)-1-methyl-3,4-dihydro-2H-quinoline-4-carboxamide?
N-(4-chlorophenyl)-1-methyl-3,4-dihydro-2H-quinoline-4-carboxamide has a molecular weight of 300.79 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-methyl-3,4-dihydro-2H-quinoline-4-carboxamide is sourced from PubChem (CID 143284729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).