6-(2-aminopropyl)-8-chloro-3,4-dihydro-1H-quinolin-2-one

C12H15ClN2O — CID 82190791

IUPAC6-(2-aminopropyl)-8-chloro-3,4-dihydro-1H-quinolin-2-one
SMILESCC(N)Cc1cc(Cl)c2c(c1)CCC(=O)N2
InChIInChI=1S/C12H15ClN2O/c1-7(14)4-8-5-9-2-3-11(16)15-12(9)10(13)6-8/h5-7H,2-4,14H2,1H3,(H,15,16)
InChIKeyKZXGOTNZEHTPLP-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.11
Rot. Bonds2

About 6-(2-aminopropyl)-8-chloro-3,4-dihydro-1H-quinolin-2-one

6-(2-aminopropyl)-8-chloro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 82190791) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 6-(2-aminopropyl)-8-chloro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(2-aminopropyl)-8-chloro-3,4-dihydro-1H-quinolin-2-one
PubChem CID82190791
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name6-(2-aminopropyl)-8-chloro-3,4-dihydro-1H-quinolin-2-one
SMILESCC(N)Cc1cc(Cl)c2c(c1)CCC(=O)N2
InChIInChI=1S/C12H15ClN2O/c1-7(14)4-8-5-9-2-3-11(16)15-12(9)10(13)6-8/h5-7H,2-4,14H2,1H3,(H,15,16)
InChIKeyKZXGOTNZEHTPLP-UHFFFAOYSA-N
XLogP2.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-aminopropyl)-3,4-dihydro-1H-quinolin-2-one
CID 82190762
8-(2-aminopropyl)-6-bromo-3,4-dihydro-1H-quinolin-2-one
CID 82190811
8-chloro-6-hydroxy-3,4-dihydro-1H-quinolin-2-one
CID 14268518
6-[2-(tert-butylamino)-1-hydroxyethyl]-8-chloro-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 70510329
8-chloro-6-[hydroxy(phenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 82174090
6-(1-amino-2-phenylethyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 82174314
1-(3-chloro-5-fluoro-4-methylphenyl)propan-2-amine
CID 117290522
2-(7-chloro-2-oxo-1,3-dihydroindol-5-yl)acetonitrile
CID 84779277
1-(3-chloro-5-ethyl-4-fluorophenyl)propan-2-amine
CID 117307518
8-chloro-N-(3-methoxypropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 171133307
7-(2-aminopropyl)-5-methyl-1,3-dihydroindol-2-one
CID 82190534
6-(1-amino-2-phenylethyl)-8-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 82174036

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopropyl)-8-chloro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(2-aminopropyl)-8-chloro-3,4-dihydro-1H-quinolin-2-one (CID 82190791) is 6-(2-aminopropyl)-8-chloro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(2-aminopropyl)-8-chloro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(2-aminopropyl)-8-chloro-3,4-dihydro-1H-quinolin-2-one is CC(N)Cc1cc(Cl)c2c(c1)CCC(=O)N2.
What is the InChIKey of 6-(2-aminopropyl)-8-chloro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is KZXGOTNZEHTPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-7(14)4-8-5-9-2-3-11(16)15-12(9)10(13)6-8/h5-7H,2-4,14H2,1H3,(H,15,16).
What are the key properties of 6-(2-aminopropyl)-8-chloro-3,4-dihydro-1H-quinolin-2-one?
6-(2-aminopropyl)-8-chloro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 238.72 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopropyl)-8-chloro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 82190791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).