6-chloro-3-cyclohexa-1,5-dien-1-yl-4-phenyl-1H-quinolin-2-one

C21H16ClNO — CID 142993457

IUPAC6-chloro-3-cyclohexa-1,5-dien-1-yl-4-phenyl-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1C1=CCCC=C1
InChIInChI=1S/C21H16ClNO/c22-16-11-12-18-17(13-16)19(14-7-3-1-4-8-14)20(21(24)23-18)15-9-5-2-6-10-15/h1,3-5,7-13H,2,6H2,(H,23,24)
InChIKeyZGHDKKICJJMYSC-UHFFFAOYSA-N
MW333.82 g/mol
LogP5.58
Rot. Bonds2

About 6-chloro-3-cyclohexa-1,5-dien-1-yl-4-phenyl-1H-quinolin-2-one

6-chloro-3-cyclohexa-1,5-dien-1-yl-4-phenyl-1H-quinolin-2-one (PubChem CID 142993457) has the molecular formula C21H16ClNO and a molecular weight of 333.82 g/mol. Its IUPAC name is 6-chloro-3-cyclohexa-1,5-dien-1-yl-4-phenyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-cyclohexa-1,5-dien-1-yl-4-phenyl-1H-quinolin-2-one
PubChem CID142993457
Molecular FormulaC21H16ClNO
Molecular Weight333.82 g/mol
Exact Mass333.09
IUPAC Name6-chloro-3-cyclohexa-1,5-dien-1-yl-4-phenyl-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1C1=CCCC=C1
InChIInChI=1S/C21H16ClNO/c22-16-11-12-18-17(13-16)19(14-7-3-1-4-8-14)20(21(24)23-18)15-9-5-2-6-10-15/h1,3-5,7-13H,2,6H2,(H,23,24)
InChIKeyZGHDKKICJJMYSC-UHFFFAOYSA-N
XLogP5.58
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.82
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-chloro-4-phenyl-3-pyrrolidin-1-yl-1H-quinolin-2-one
CID 715752
6-chloro-3-(dimethylamino)-4-phenyl-1H-quinolin-2-one
CID 3446328
ethyl 3-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)benzoate
CID 59654994
6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-4-phenyl-1H-quinolin-2-one
CID 1421862
(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl) acetate
CID 174726646
N-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)acetamide
CID 44561346
6-chloro-4-phenyl-3-[5-(2-phenylethenyl)-4,5-dihydro-1H-pyrazol-3-yl]-1H-quinolin-2-one
CID 135468918
6-chloro-3-[1-(4-chloroanilino)-3-oxoinden-2-yl]-4-phenyl-1H-quinolin-2-one
CID 10744259
6-chloro-4-pyridin-4-yl-3-thiophen-3-yl-1H-quinolin-2-one
CID 118677168
(3R)-5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N,3-diphenyl-3,4-dihydropyrazole-2-carbothioamide
CID 136829380
cyclohexa-1,5-dien-1-ylbenzene;methane
CID 156791104
4-[5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 2872495

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-cyclohexa-1,5-dien-1-yl-4-phenyl-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-cyclohexa-1,5-dien-1-yl-4-phenyl-1H-quinolin-2-one (CID 142993457) is 6-chloro-3-cyclohexa-1,5-dien-1-yl-4-phenyl-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-cyclohexa-1,5-dien-1-yl-4-phenyl-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-cyclohexa-1,5-dien-1-yl-4-phenyl-1H-quinolin-2-one is O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1C1=CCCC=C1.
What is the InChIKey of 6-chloro-3-cyclohexa-1,5-dien-1-yl-4-phenyl-1H-quinolin-2-one?
The InChIKey is ZGHDKKICJJMYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClNO/c22-16-11-12-18-17(13-16)19(14-7-3-1-4-8-14)20(21(24)23-18)15-9-5-2-6-10-15/h1,3-5,7-13H,2,6H2,(H,23,24).
What are the key properties of 6-chloro-3-cyclohexa-1,5-dien-1-yl-4-phenyl-1H-quinolin-2-one?
6-chloro-3-cyclohexa-1,5-dien-1-yl-4-phenyl-1H-quinolin-2-one has a molecular weight of 333.82 g/mol, XLogP of 5.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-cyclohexa-1,5-dien-1-yl-4-phenyl-1H-quinolin-2-one is sourced from PubChem (CID 142993457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).