N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-chlorobenzamide

C18H17ClN2O2 — CID 7527150

IUPACN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-chlorobenzamide
SMILESCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3Cl)cc21
InChIInChI=1S/C18H17ClN2O2/c1-12(22)21-10-4-5-13-8-9-14(11-17(13)21)20-18(23)15-6-2-3-7-16(15)19/h2-3,6-9,11H,4-5,10H2,1H3,(H,20,23)
InChIKeyIXFFQUDGUQQTKS-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.89
Rot. Bonds2

About N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-chlorobenzamide

N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-chlorobenzamide (PubChem CID 7527150) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-chlorobenzamide.

Molecular Properties

Compound NameN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-chlorobenzamide
PubChem CID7527150
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC NameN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-chlorobenzamide
SMILESCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3Cl)cc21
InChIInChI=1S/C18H17ClN2O2/c1-12(22)21-10-4-5-13-8-9-14(11-17(13)21)20-18(23)15-6-2-3-7-16(15)19/h2-3,6-9,11H,4-5,10H2,1H3,(H,20,23)
InChIKeyIXFFQUDGUQQTKS-UHFFFAOYSA-N
XLogP3.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-chlorobenzamide
CID 18565097
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,5-dimethylbenzamide
CID 7586167
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluorobenzamide
CID 7527164
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-amino-1-methylpyrazole-4-carboxamide
CID 166289148
(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)thiourea
CID 169358597
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N'-(2-methylphenyl)oxamide
CID 7586388
N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)naphthalene-1-carboxamide
CID 16835101
N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-(3-fluorophenyl)oxamide
CID 7586378
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethoxybenzamide
CID 7586153
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-phenoxyacetamide
CID 7527152
N-(3-acetyl-4-chlorophenyl)-2-chlorobenzamide
CID 22888926
2,5-dichloro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 16835031

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-chlorobenzamide?
The IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-chlorobenzamide (CID 7527150) is N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-chlorobenzamide.
What is the SMILES notation for N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-chlorobenzamide?
The canonical SMILES for N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-chlorobenzamide is CC(=O)N1CCCc2ccc(NC(=O)c3ccccc3Cl)cc21.
What is the InChIKey of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-chlorobenzamide?
The InChIKey is IXFFQUDGUQQTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-12(22)21-10-4-5-13-8-9-14(11-17(13)21)20-18(23)15-6-2-3-7-16(15)19/h2-3,6-9,11H,4-5,10H2,1H3,(H,20,23).
What are the key properties of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-chlorobenzamide?
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-chlorobenzamide has a molecular weight of 328.80 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-chlorobenzamide is sourced from PubChem (CID 7527150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).