7-chloro-4-(2-oxopropoxy)-3-phenyl-1H-quinolin-2-one

C18H14ClNO3 — CID 10806148

IUPAC7-chloro-4-(2-oxopropoxy)-3-phenyl-1H-quinolin-2-one
SMILESCC(=O)COc1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C18H14ClNO3/c1-11(21)10-23-17-14-8-7-13(19)9-15(14)20-18(22)16(17)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,20,22)
InChIKeyKZJZHBQQXSOWHM-UHFFFAOYSA-N
MW327.77 g/mol
LogP3.82
Rot. Bonds4

About 7-chloro-4-(2-oxopropoxy)-3-phenyl-1H-quinolin-2-one

7-chloro-4-(2-oxopropoxy)-3-phenyl-1H-quinolin-2-one (PubChem CID 10806148) has the molecular formula C18H14ClNO3 and a molecular weight of 327.77 g/mol. Its IUPAC name is 7-chloro-4-(2-oxopropoxy)-3-phenyl-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-4-(2-oxopropoxy)-3-phenyl-1H-quinolin-2-one
PubChem CID10806148
Molecular FormulaC18H14ClNO3
Molecular Weight327.77 g/mol
Exact Mass327.07
IUPAC Name7-chloro-4-(2-oxopropoxy)-3-phenyl-1H-quinolin-2-one
SMILESCC(=O)COc1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C18H14ClNO3/c1-11(21)10-23-17-14-8-7-13(19)9-15(14)20-18(22)16(17)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,20,22)
InChIKeyKZJZHBQQXSOWHM-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(2-oxopropoxy)-3-phenyl-1H-quinolin-2-one?
The IUPAC name of 7-chloro-4-(2-oxopropoxy)-3-phenyl-1H-quinolin-2-one (CID 10806148) is 7-chloro-4-(2-oxopropoxy)-3-phenyl-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-4-(2-oxopropoxy)-3-phenyl-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-4-(2-oxopropoxy)-3-phenyl-1H-quinolin-2-one is CC(=O)COc1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-4-(2-oxopropoxy)-3-phenyl-1H-quinolin-2-one?
The InChIKey is KZJZHBQQXSOWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO3/c1-11(21)10-23-17-14-8-7-13(19)9-15(14)20-18(22)16(17)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,20,22).
What are the key properties of 7-chloro-4-(2-oxopropoxy)-3-phenyl-1H-quinolin-2-one?
7-chloro-4-(2-oxopropoxy)-3-phenyl-1H-quinolin-2-one has a molecular weight of 327.77 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(2-oxopropoxy)-3-phenyl-1H-quinolin-2-one is sourced from PubChem (CID 10806148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).