4-chloro-N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]benzamide

C19H19ClN2O2 — CID 110788721

IUPAC4-chloro-N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]benzamide
SMILESCN1C(=O)CCc2cc(CCNC(=O)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C19H19ClN2O2/c1-22-17-8-2-13(12-15(17)5-9-18(22)23)10-11-21-19(24)14-3-6-16(20)7-4-14/h2-4,6-8,12H,5,9-11H2,1H3,(H,21,24)
InChIKeyFRSKDRVIECHGTC-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.22
Rot. Bonds4

About 4-chloro-N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]benzamide

4-chloro-N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]benzamide (PubChem CID 110788721) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 4-chloro-N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]benzamide
PubChem CID110788721
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name4-chloro-N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]benzamide
SMILESCN1C(=O)CCc2cc(CCNC(=O)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C19H19ClN2O2/c1-22-17-8-2-13(12-15(17)5-9-18(22)23)10-11-21-19(24)14-3-6-16(20)7-4-14/h2-4,6-8,12H,5,9-11H2,1H3,(H,21,24)
InChIKeyFRSKDRVIECHGTC-UHFFFAOYSA-N
XLogP3.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]benzamide
CID 110788711
N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]-2-oxoacetamide
CID 115166541
2,2-dimethyl-N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]propanamide
CID 110788697
N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]furan-2-carboxamide
CID 110788700
1-methyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinoline-6-carboxamide
CID 110383928
4-chloro-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]benzamide
CID 110790000
N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 110788734
6-[2-(hydroxymethylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 115229304
1-cyclopentyl-3-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]urea
CID 110775819
1-methyl-6-[2-(propan-2-ylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 82479603
3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid
CID 82116153
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]carbamoyl chloride
CID 115194905

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]benzamide (CID 110788721) is 4-chloro-N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]benzamide is CN1C(=O)CCc2cc(CCNC(=O)c3ccc(Cl)cc3)ccc21.
What is the InChIKey of 4-chloro-N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]benzamide?
The InChIKey is FRSKDRVIECHGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-22-17-8-2-13(12-15(17)5-9-18(22)23)10-11-21-19(24)14-3-6-16(20)7-4-14/h2-4,6-8,12H,5,9-11H2,1H3,(H,21,24).
What are the key properties of 4-chloro-N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]benzamide?
4-chloro-N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]benzamide has a molecular weight of 342.83 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]benzamide is sourced from PubChem (CID 110788721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).