1-(4-chlorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one

C17H14ClNO3 — CID 110635358

IUPAC1-(4-chlorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one
SMILESCOc1cccc2c1N(C(=O)c1ccc(Cl)cc1)CCC2=O
InChIInChI=1S/C17H14ClNO3/c1-22-15-4-2-3-13-14(20)9-10-19(16(13)15)17(21)11-5-7-12(18)8-6-11/h2-8H,9-10H2,1H3
InChIKeyWMHSFONTFUUFMY-UHFFFAOYSA-N
MW315.76 g/mol
LogP3.58
Rot. Bonds2

About 1-(4-chlorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one

1-(4-chlorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one (PubChem CID 110635358) has the molecular formula C17H14ClNO3 and a molecular weight of 315.76 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one
PubChem CID110635358
Molecular FormulaC17H14ClNO3
Molecular Weight315.76 g/mol
Exact Mass315.07
IUPAC Name1-(4-chlorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one
SMILESCOc1cccc2c1N(C(=O)c1ccc(Cl)cc1)CCC2=O
InChIInChI=1S/C17H14ClNO3/c1-22-15-4-2-3-13-14(20)9-10-19(16(13)15)17(21)11-5-7-12(18)8-6-11/h2-8H,9-10H2,1H3
InChIKeyWMHSFONTFUUFMY-UHFFFAOYSA-N
XLogP3.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-(4-chlorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one (CID 110635358) is 1-(4-chlorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-(4-chlorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-(4-chlorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one is COc1cccc2c1N(C(=O)c1ccc(Cl)cc1)CCC2=O.
What is the InChIKey of 1-(4-chlorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one?
The InChIKey is WMHSFONTFUUFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO3/c1-22-15-4-2-3-13-14(20)9-10-19(16(13)15)17(21)11-5-7-12(18)8-6-11/h2-8H,9-10H2,1H3.
What are the key properties of 1-(4-chlorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one?
1-(4-chlorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one has a molecular weight of 315.76 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 110635358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).