6-chloro-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide

C13H17ClN2O — CID 110747484

IUPAC6-chloro-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCC(C)NC(=O)N1CCCc2cc(Cl)ccc21
InChIInChI=1S/C13H17ClN2O/c1-9(2)15-13(17)16-7-3-4-10-8-11(14)5-6-12(10)16/h5-6,8-9H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyBSVKPUDOLBNZKR-UHFFFAOYSA-N
MW252.75 g/mol
LogP3.21
Rot. Bonds1

About 6-chloro-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide

6-chloro-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 110747484) has the molecular formula C13H17ClN2O and a molecular weight of 252.75 g/mol. Its IUPAC name is 6-chloro-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound Name6-chloro-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID110747484
Molecular FormulaC13H17ClN2O
Molecular Weight252.75 g/mol
Exact Mass252.10
IUPAC Name6-chloro-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCC(C)NC(=O)N1CCCc2cc(Cl)ccc21
InChIInChI=1S/C13H17ClN2O/c1-9(2)15-13(17)16-7-3-4-10-8-11(14)5-6-12(10)16/h5-6,8-9H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyBSVKPUDOLBNZKR-UHFFFAOYSA-N
XLogP3.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-chloro-N-(4-chlorophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 134093336
methyl 6-chloro-3,4-dihydro-2H-quinoline-1-carboxylate
CID 82473511
7-chloro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69222522
(2S)-2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]propanoic acid
CID 78967798
5-chloro-N-cyclohexyl-2,3-dihydroindole-1-carboxamide
CID 110747460
4-chloro-N-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]benzamide
CID 112762141
N-[(2S)-butan-2-yl]-1-(4-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 94086764
2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 78860764
(3S)-3-[2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 95775887
5-chloro-2,3-dihydroindole-1-carboxylic acid
CID 68859490
N-[3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
CID 86929724
(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-(2-methylsulfonylphenyl)methanone
CID 86929717

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of 6-chloro-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide (CID 110747484) is 6-chloro-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for 6-chloro-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for 6-chloro-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide is CC(C)NC(=O)N1CCCc2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is BSVKPUDOLBNZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-9(2)15-13(17)16-7-3-4-10-8-11(14)5-6-12(10)16/h5-6,8-9H,3-4,7H2,1-2H3,(H,15,17).
What are the key properties of 6-chloro-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide?
6-chloro-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 252.75 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 110747484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).