8-chloro-6-[hydroxy(phenyl)methyl]-3,4-dihydro-1H-quinolin-2-one

C16H14ClNO2 — CID 82174090

IUPAC8-chloro-6-[hydroxy(phenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(O)c3ccccc3)cc(Cl)c2N1
InChIInChI=1S/C16H14ClNO2/c17-13-9-12(16(20)10-4-2-1-3-5-10)8-11-6-7-14(19)18-15(11)13/h1-5,8-9,16,20H,6-7H2,(H,18,19)
InChIKeyKYYHLGGHLPAYPA-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.31
Rot. Bonds2

About 8-chloro-6-[hydroxy(phenyl)methyl]-3,4-dihydro-1H-quinolin-2-one

8-chloro-6-[hydroxy(phenyl)methyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 82174090) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is 8-chloro-6-[hydroxy(phenyl)methyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name8-chloro-6-[hydroxy(phenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID82174090
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name8-chloro-6-[hydroxy(phenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(O)c3ccccc3)cc(Cl)c2N1
InChIInChI=1S/C16H14ClNO2/c17-13-9-12(16(20)10-4-2-1-3-5-10)8-11-6-7-14(19)18-15(11)13/h1-5,8-9,16,20H,6-7H2,(H,18,19)
InChIKeyKYYHLGGHLPAYPA-UHFFFAOYSA-N
XLogP3.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-8-[hydroxy(phenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 82174232
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-[(2-chlorophenyl)-hydroxymethyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 82174159
6-[(2-fluorophenyl)-hydroxymethyl]-8-methyl-3,4-dihydro-1H-quinolin-2-one
CID 82173975
8-chloro-6-[2-[1-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxypropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 70509612
6-chloro-8-[hydroxy-(2-methylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 82174233
8-ethyl-6-[furan-2-yl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 82174009
8-chloro-6-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxypropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 70509615
(R)-(3,4-dichlorophenyl)-phenylmethanol
CID 7153278
6-fluoro-8-[(2-fluorophenyl)-hydroxymethyl]-3,4-dihydro-1H-quinolin-2-one
CID 82174281
6-[(4-chlorophenyl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 61080517

Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-[hydroxy(phenyl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 8-chloro-6-[hydroxy(phenyl)methyl]-3,4-dihydro-1H-quinolin-2-one (CID 82174090) is 8-chloro-6-[hydroxy(phenyl)methyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 8-chloro-6-[hydroxy(phenyl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 8-chloro-6-[hydroxy(phenyl)methyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C(O)c3ccccc3)cc(Cl)c2N1.
What is the InChIKey of 8-chloro-6-[hydroxy(phenyl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is KYYHLGGHLPAYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c17-13-9-12(16(20)10-4-2-1-3-5-10)8-11-6-7-14(19)18-15(11)13/h1-5,8-9,16,20H,6-7H2,(H,18,19).
What are the key properties of 8-chloro-6-[hydroxy(phenyl)methyl]-3,4-dihydro-1H-quinolin-2-one?
8-chloro-6-[hydroxy(phenyl)methyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 287.75 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-[hydroxy(phenyl)methyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 82174090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).