(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl) acetate

C17H12ClNO3 — CID 174726646

IUPAC(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl) acetate
SMILESCC(=O)Oc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C17H12ClNO3/c1-10(20)22-16-15(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)19-17(16)21/h2-9H,1H3,(H,19,21)
InChIKeyZLKRWBGGZLNTAJ-UHFFFAOYSA-N
MW313.74 g/mol
LogP3.77
Rot. Bonds2

About (6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl) acetate

(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl) acetate (PubChem CID 174726646) has the molecular formula C17H12ClNO3 and a molecular weight of 313.74 g/mol. Its IUPAC name is (6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl) acetate.

Molecular Properties

Compound Name(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl) acetate
PubChem CID174726646
Molecular FormulaC17H12ClNO3
Molecular Weight313.74 g/mol
Exact Mass313.05
IUPAC Name(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl) acetate
SMILESCC(=O)Oc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C17H12ClNO3/c1-10(20)22-16-15(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)19-17(16)21/h2-9H,1H3,(H,19,21)
InChIKeyZLKRWBGGZLNTAJ-UHFFFAOYSA-N
XLogP3.77
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)acetamide
CID 44561346
6-chloro-3-(dimethylamino)-4-phenyl-1H-quinolin-2-one
CID 3446328
6-chloro-3-[3-(4-methoxyphenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
CID 3123581
ethyl 3-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)benzoate
CID 59654994
3-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]propanoic acid
CID 4157880
6-chloro-4-phenyl-3-pyrrolidin-1-yl-1H-quinolin-2-one
CID 715752
6-chloro-3-[(E)-3-(2-chloro-6-fluorophenyl)but-2-enoyl]-4-phenyl-1H-quinolin-2-one
CID 86300874
6-chloro-3-[3-(2-methylphenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
CID 4668889
N-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)acetamide
CID 10686612
6-chloro-3-[3-(2-chlorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
CID 2879879
(2E)-2-[1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)ethenoxyimino]acetaldehyde;methanol
CID 142993401
6-chloro-4-phenyl-3-(3-pyridin-4-ylpropanoyl)-1H-quinolin-2-one
CID 134257279

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl) acetate?
The IUPAC name of (6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl) acetate (CID 174726646) is (6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl) acetate.
What is the SMILES notation for (6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl) acetate?
The canonical SMILES for (6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl) acetate is CC(=O)Oc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O.
What is the InChIKey of (6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl) acetate?
The InChIKey is ZLKRWBGGZLNTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO3/c1-10(20)22-16-15(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)19-17(16)21/h2-9H,1H3,(H,19,21).
What are the key properties of (6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl) acetate?
(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl) acetate has a molecular weight of 313.74 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl) acetate is sourced from PubChem (CID 174726646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).