7-(4-chlorobenzoyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one

C17H10ClNO4 — CID 53337344

IUPAC7-(4-chlorobenzoyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one
SMILESO=C(c1ccc(Cl)cc1)c1c[nH]c2cc3c(cc2c1=O)OCO3
InChIInChI=1S/C17H10ClNO4/c18-10-3-1-9(2-4-10)16(20)12-7-19-13-6-15-14(22-8-23-15)5-11(13)17(12)21/h1-7H,8H2,(H,19,21)
InChIKeyDZRKXSMGGIGRKC-UHFFFAOYSA-N
MW327.72 g/mol
LogP3.14
Rot. Bonds2

About 7-(4-chlorobenzoyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one

7-(4-chlorobenzoyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one (PubChem CID 53337344) has the molecular formula C17H10ClNO4 and a molecular weight of 327.72 g/mol. Its IUPAC name is 7-(4-chlorobenzoyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one.

Molecular Properties

Compound Name7-(4-chlorobenzoyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one
PubChem CID53337344
Molecular FormulaC17H10ClNO4
Molecular Weight327.72 g/mol
Exact Mass327.03
IUPAC Name7-(4-chlorobenzoyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one
SMILESO=C(c1ccc(Cl)cc1)c1c[nH]c2cc3c(cc2c1=O)OCO3
InChIInChI=1S/C17H10ClNO4/c18-10-3-1-9(2-4-10)16(20)12-7-19-13-6-15-14(22-8-23-15)5-11(13)17(12)21/h1-7H,8H2,(H,19,21)
InChIKeyDZRKXSMGGIGRKC-UHFFFAOYSA-N
XLogP3.14
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.72
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-3-(4-fluorobenzoyl)-1H-quinolin-4-one
CID 22423715
6-chloro-3-(4-methylbenzoyl)-1H-quinolin-4-one
CID 22423707
(6-chloro-1H-indol-3-yl)-(4-chlorophenyl)methanone
CID 43163471
1,3-benzodioxol-5-yl(1H-indol-3-yl)methanone
CID 43161266
(4-chlorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555318
7-(4-chlorobenzoyl)-5-[(3-methylphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 20864638
3-(4-chlorobenzoyl)-1H-indole-6-carbonitrile
CID 107916653
3-(6-chloropyridine-3-carbonyl)-6,7-dimethyl-1H-quinolin-4-one
CID 143389913
6,7-dimethoxy-3-(4-methoxybenzoyl)-1H-quinolin-4-one
CID 53337333
7-chloro-4-oxo-1H-quinoline-3-carbonyl chloride
CID 54380984
6,7-dimethyl-3-(pyridine-4-carbonyl)-1H-quinolin-4-one
CID 52998483
6-chloro-4-oxo-1H-quinoline-3-carboxamide
CID 601266

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorobenzoyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one?
The IUPAC name of 7-(4-chlorobenzoyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one (CID 53337344) is 7-(4-chlorobenzoyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one.
What is the SMILES notation for 7-(4-chlorobenzoyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one?
The canonical SMILES for 7-(4-chlorobenzoyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one is O=C(c1ccc(Cl)cc1)c1c[nH]c2cc3c(cc2c1=O)OCO3.
What is the InChIKey of 7-(4-chlorobenzoyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one?
The InChIKey is DZRKXSMGGIGRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClNO4/c18-10-3-1-9(2-4-10)16(20)12-7-19-13-6-15-14(22-8-23-15)5-11(13)17(12)21/h1-7H,8H2,(H,19,21).
What are the key properties of 7-(4-chlorobenzoyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one?
7-(4-chlorobenzoyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one has a molecular weight of 327.72 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorobenzoyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one is sourced from PubChem (CID 53337344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).