4-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide

C19H19ClN2O2 — CID 27604865

IUPAC4-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
SMILESCCC(=O)N1CCCc2cc(NC(=O)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C19H19ClN2O2/c1-2-18(23)22-11-3-4-14-12-16(9-10-17(14)22)21-19(24)13-5-7-15(20)8-6-13/h5-10,12H,2-4,11H2,1H3,(H,21,24)
InChIKeyHWPPLAPUDOOVFL-UHFFFAOYSA-N
MW342.83 g/mol
LogP4.28
Rot. Bonds3

About 4-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide

4-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide (PubChem CID 27604865) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 4-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
PubChem CID27604865
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name4-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
SMILESCCC(=O)N1CCCc2cc(NC(=O)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C19H19ClN2O2/c1-2-18(23)22-11-3-4-14-12-16(9-10-17(14)22)21-19(24)13-5-7-15(20)8-6-13/h5-10,12H,2-4,11H2,1H3,(H,21,24)
InChIKeyHWPPLAPUDOOVFL-UHFFFAOYSA-N
XLogP4.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 16896591
5-bromo-2-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 16834649
4-fluoro-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 16834722
N-(3-chloro-4-methoxyphenyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 53080866
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-(hydroxymethyl)benzamide
CID 155952648
N-[4-(2-methylpropanoylamino)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55787282
3,4,5-triethoxy-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzamide
CID 27604624
3,4-dichloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 7498736
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 46491877
N-[3-(ethylcarbamoyl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 47047847
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 7656757
N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)propane-2-sulfonamide
CID 16834785

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide?
The IUPAC name of 4-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide (CID 27604865) is 4-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide?
The canonical SMILES for 4-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide is CCC(=O)N1CCCc2cc(NC(=O)c3ccc(Cl)cc3)ccc21.
What is the InChIKey of 4-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide?
The InChIKey is HWPPLAPUDOOVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-2-18(23)22-11-3-4-14-12-16(9-10-17(14)22)21-19(24)13-5-7-15(20)8-6-13/h5-10,12H,2-4,11H2,1H3,(H,21,24).
What are the key properties of 4-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide?
4-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide has a molecular weight of 342.83 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide is sourced from PubChem (CID 27604865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).