1-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]ethanone

C19H16ClNO — CID 19767903

IUPAC1-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]ethanone
SMILESCC(=O)c1cccc(CCc2ccc3ccc(Cl)cc3n2)c1
InChIInChI=1S/C19H16ClNO/c1-13(22)16-4-2-3-14(11-16)5-9-18-10-7-15-6-8-17(20)12-19(15)21-18/h2-4,6-8,10-12H,5,9H2,1H3
InChIKeyHFLMOYDGSWZUQH-UHFFFAOYSA-N
MW309.80 g/mol
LogP4.88
Rot. Bonds4

About 1-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]ethanone

1-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]ethanone (PubChem CID 19767903) has the molecular formula C19H16ClNO and a molecular weight of 309.80 g/mol. Its IUPAC name is 1-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]ethanone
PubChem CID19767903
Molecular FormulaC19H16ClNO
Molecular Weight309.80 g/mol
Exact Mass309.09
IUPAC Name1-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]ethanone
SMILESCC(=O)c1cccc(CCc2ccc3ccc(Cl)cc3n2)c1
InChIInChI=1S/C19H16ClNO/c1-13(22)16-4-2-3-14(11-16)5-9-18-10-7-15-6-8-17(20)12-19(15)21-18/h2-4,6-8,10-12H,5,9H2,1H3
InChIKeyHFLMOYDGSWZUQH-UHFFFAOYSA-N
XLogP4.88
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(7-chloroquinolin-2-yl)ethyl]benzoic acid
CID 71122151
1-[3-[(3-chlorophenyl)methyl]phenyl]ethanone
CID 10705500
N-[2-[(E)-3-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]prop-2-enyl]phenyl]-2,2-dimethylpropanamide
CID 19767777
3-[2-[7-(1-hydroxynonyl)quinolin-2-yl]ethyl]benzoate
CID 91929216
CID 86748754
CID 86748754
3-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]-2-(2-ethylphenyl)-2,4-dihydropyran-3-ol
CID 175882353
5-(3-acetylphenyl)pentan-2-one
CID 11052734
2-[2-(3-methylphenyl)ethyl]quinoline
CID 71620221
4-[(1R)-1-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanyl-3,3-dimethylbutanoic acid
CID 15289610
1-[3-(sulfanylmethyl)phenyl]ethanone
CID 56991195
1-(3-acetylphenyl)propan-2-one
CID 12950417
2-(bromomethyl)-7-chloroquinoline
CID 10244160

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]ethanone?
The IUPAC name of 1-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]ethanone (CID 19767903) is 1-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]ethanone?
The canonical SMILES for 1-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]ethanone is CC(=O)c1cccc(CCc2ccc3ccc(Cl)cc3n2)c1.
What is the InChIKey of 1-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]ethanone?
The InChIKey is HFLMOYDGSWZUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO/c1-13(22)16-4-2-3-14(11-16)5-9-18-10-7-15-6-8-17(20)12-19(15)21-18/h2-4,6-8,10-12H,5,9H2,1H3.
What are the key properties of 1-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]ethanone?
1-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]ethanone has a molecular weight of 309.80 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]ethanone is sourced from PubChem (CID 19767903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).