7-chloro-3-[2-(4-methoxyphenyl)acetyl]-1H-quinolin-2-one

C18H14ClNO3 — CID 12002170

IUPAC7-chloro-3-[2-(4-methoxyphenyl)acetyl]-1H-quinolin-2-one
SMILESCOc1ccc(CC(=O)c2cc3ccc(Cl)cc3[nH]c2=O)cc1
InChIInChI=1S/C18H14ClNO3/c1-23-14-6-2-11(3-7-14)8-17(21)15-9-12-4-5-13(19)10-16(12)20-18(15)22/h2-7,9-10H,8H2,1H3,(H,20,22)
InChIKeyBLJJZGNLWFDKJB-UHFFFAOYSA-N
MW327.77 g/mol
LogP3.62
Rot. Bonds4

About 7-chloro-3-[2-(4-methoxyphenyl)acetyl]-1H-quinolin-2-one

7-chloro-3-[2-(4-methoxyphenyl)acetyl]-1H-quinolin-2-one (PubChem CID 12002170) has the molecular formula C18H14ClNO3 and a molecular weight of 327.77 g/mol. Its IUPAC name is 7-chloro-3-[2-(4-methoxyphenyl)acetyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-3-[2-(4-methoxyphenyl)acetyl]-1H-quinolin-2-one
PubChem CID12002170
Molecular FormulaC18H14ClNO3
Molecular Weight327.77 g/mol
Exact Mass327.07
IUPAC Name7-chloro-3-[2-(4-methoxyphenyl)acetyl]-1H-quinolin-2-one
SMILESCOc1ccc(CC(=O)c2cc3ccc(Cl)cc3[nH]c2=O)cc1
InChIInChI=1S/C18H14ClNO3/c1-23-14-6-2-11(3-7-14)8-17(21)15-9-12-4-5-13(19)10-16(12)20-18(15)22/h2-7,9-10H,8H2,1H3,(H,20,22)
InChIKeyBLJJZGNLWFDKJB-UHFFFAOYSA-N
XLogP3.62
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-1-(7-chloro-2-oxo-1H-quinolin-3-yl)-5-(4-methoxyphenyl)pent-4-ene-1,3-dione
CID 67007967
7-chloro-3-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]-1H-quinolin-2-one
CID 67007557
3-(2-bromoacetyl)-7-methoxy-1H-quinolin-2-one
CID 22638606
1-(4-chloro-2-fluorophenyl)-2-(4-methoxyphenyl)ethanone
CID 61055289
1-(5-chloro-1H-indol-3-yl)-2-(4-methoxyphenyl)ethanone
CID 63879051
2-(4-chlorophenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110324770
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone
CID 81045109
1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanone
CID 43167322
N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 3430411
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 4258688
1-(4-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)ethanone
CID 63526993
(6-chloro-1H-indol-2-yl)-(5-methoxy-1H-indol-2-yl)methanone
CID 11688408

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[2-(4-methoxyphenyl)acetyl]-1H-quinolin-2-one?
The IUPAC name of 7-chloro-3-[2-(4-methoxyphenyl)acetyl]-1H-quinolin-2-one (CID 12002170) is 7-chloro-3-[2-(4-methoxyphenyl)acetyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-3-[2-(4-methoxyphenyl)acetyl]-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-3-[2-(4-methoxyphenyl)acetyl]-1H-quinolin-2-one is COc1ccc(CC(=O)c2cc3ccc(Cl)cc3[nH]c2=O)cc1.
What is the InChIKey of 7-chloro-3-[2-(4-methoxyphenyl)acetyl]-1H-quinolin-2-one?
The InChIKey is BLJJZGNLWFDKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO3/c1-23-14-6-2-11(3-7-14)8-17(21)15-9-12-4-5-13(19)10-16(12)20-18(15)22/h2-7,9-10H,8H2,1H3,(H,20,22).
What are the key properties of 7-chloro-3-[2-(4-methoxyphenyl)acetyl]-1H-quinolin-2-one?
7-chloro-3-[2-(4-methoxyphenyl)acetyl]-1H-quinolin-2-one has a molecular weight of 327.77 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[2-(4-methoxyphenyl)acetyl]-1H-quinolin-2-one is sourced from PubChem (CID 12002170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).