2-(3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carbonyl)-5-chlorobenzamide

C17H19ClN2O2 — CID 68835701

IUPAC2-(3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carbonyl)-5-chlorobenzamide
SMILESNC(=O)c1cc(Cl)ccc1C(=O)N1CCCC2CCCC=C21
InChIInChI=1S/C17H19ClN2O2/c18-12-7-8-13(14(10-12)16(19)21)17(22)20-9-3-5-11-4-1-2-6-15(11)20/h6-8,10-11H,1-5,9H2,(H2,19,21)
InChIKeyDFLMMJOAVJJBJM-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.36
Rot. Bonds2

About 2-(3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carbonyl)-5-chlorobenzamide

2-(3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carbonyl)-5-chlorobenzamide (PubChem CID 68835701) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 2-(3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carbonyl)-5-chlorobenzamide.

Molecular Properties

Compound Name2-(3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carbonyl)-5-chlorobenzamide
PubChem CID68835701
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name2-(3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carbonyl)-5-chlorobenzamide
SMILESNC(=O)c1cc(Cl)ccc1C(=O)N1CCCC2CCCC=C21
InChIInChI=1S/C17H19ClN2O2/c18-12-7-8-13(14(10-12)16(19)21)17(22)20-9-3-5-11-4-1-2-6-15(11)20/h6-8,10-11H,1-5,9H2,(H2,19,21)
InChIKeyDFLMMJOAVJJBJM-UHFFFAOYSA-N
XLogP3.36
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl-[2-(4-chloro-2-ethoxyphenyl)-1,3-thiazol-4-yl]methanone
CID 68682593
3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl-[5-[2-(4-chlorophenyl)ethenyl]-1-methylpyrazol-4-yl]methanone
CID 67363776
5-chloro-2-(4-phenylpiperidine-1-carbonyl)benzamide
CID 68831202
4-[4-(3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carbonyl)thiophen-2-yl]-N-(2-aminoethyl)piperidine-1-carboxamide
CID 68789260
3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl-[2-(2,3,5-trifluoro-4-methylphenyl)-1,3-thiazol-4-yl]methanone
CID 87539757
3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl-[2-[2-(hydroxymethyl)phenyl]-1,3-thiazol-4-yl]methanone
CID 174558780
2-carbamoyl-5-chlorobenzoic acid
CID 57087443
3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl-[5-(1,3-benzodioxol-5-yl)-1-methylpyrazol-4-yl]methanone
CID 67361658
4-chloro-2-pyrrolidin-1-ylbenzamide
CID 175755085
1-(2,4-dichlorobenzoyl)pyrrolidin-2-one
CID 15614171
2-[2-(aminomethyl)pyrrolidin-1-yl]-4-chlorobenzamide
CID 113284607
4-chloro-2-(4-cyclobutylphenyl)benzoic acid
CID 107989871

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carbonyl)-5-chlorobenzamide?
The IUPAC name of 2-(3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carbonyl)-5-chlorobenzamide (CID 68835701) is 2-(3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carbonyl)-5-chlorobenzamide.
What is the SMILES notation for 2-(3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carbonyl)-5-chlorobenzamide?
The canonical SMILES for 2-(3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carbonyl)-5-chlorobenzamide is NC(=O)c1cc(Cl)ccc1C(=O)N1CCCC2CCCC=C21.
What is the InChIKey of 2-(3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carbonyl)-5-chlorobenzamide?
The InChIKey is DFLMMJOAVJJBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c18-12-7-8-13(14(10-12)16(19)21)17(22)20-9-3-5-11-4-1-2-6-15(11)20/h6-8,10-11H,1-5,9H2,(H2,19,21).
What are the key properties of 2-(3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carbonyl)-5-chlorobenzamide?
2-(3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carbonyl)-5-chlorobenzamide has a molecular weight of 318.80 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carbonyl)-5-chlorobenzamide is sourced from PubChem (CID 68835701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).