(2,4-dichlorophenyl)-quinolin-8-ylmethanone

C16H9Cl2NO — CID 115604879

IUPAC(2,4-dichlorophenyl)-quinolin-8-ylmethanone
SMILESO=C(c1ccc(Cl)cc1Cl)c1cccc2cccnc12
InChIInChI=1S/C16H9Cl2NO/c17-11-6-7-12(14(18)9-11)16(20)13-5-1-3-10-4-2-8-19-15(10)13/h1-9H
InChIKeyRFEURLGUWNPZCC-UHFFFAOYSA-N
MW302.16 g/mol
LogP4.77
Rot. Bonds2

About (2,4-dichlorophenyl)-quinolin-8-ylmethanone

(2,4-dichlorophenyl)-quinolin-8-ylmethanone (PubChem CID 115604879) has the molecular formula C16H9Cl2NO and a molecular weight of 302.16 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-quinolin-8-ylmethanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-quinolin-8-ylmethanone
PubChem CID115604879
Molecular FormulaC16H9Cl2NO
Molecular Weight302.16 g/mol
Exact Mass301.01
IUPAC Name(2,4-dichlorophenyl)-quinolin-8-ylmethanone
SMILESO=C(c1ccc(Cl)cc1Cl)c1cccc2cccnc12
InChIInChI=1S/C16H9Cl2NO/c17-11-6-7-12(14(18)9-11)16(20)13-5-1-3-10-4-2-8-19-15(10)13/h1-9H
InChIKeyRFEURLGUWNPZCC-UHFFFAOYSA-N
XLogP4.77
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dichlorophenyl)-1-quinolin-8-ylethanone
CID 105102618
(2,4-dichlorophenyl)-pyrimidin-2-ylmethanone
CID 154508101
pyrimidin-2-yl(quinolin-8-yl)methanone
CID 81220703
(2,4-dimethylphenyl)-quinolin-8-ylmethanone
CID 115604843
(3-amino-4-chlorophenyl)-quinolin-8-ylmethanone
CID 116552296
(5-chlorofuran-2-yl)-quinolin-8-ylmethanone
CID 106691206
(3-chloro-2-fluorophenyl)-(2,4-dichlorophenyl)methanone
CID 81265376
(2-ethylphenyl)-quinolin-8-ylmethanone
CID 115790630
(2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43344575
(2,5-dimethylfuran-3-yl)-quinolin-8-ylmethanone
CID 113230028
palladium;quinoline-8-carboxylic acid
CID 174945118
(2-methoxyphenyl)-quinolin-8-ylmethanone
CID 81215631

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-quinolin-8-ylmethanone?
The IUPAC name of (2,4-dichlorophenyl)-quinolin-8-ylmethanone (CID 115604879) is (2,4-dichlorophenyl)-quinolin-8-ylmethanone.
What is the SMILES notation for (2,4-dichlorophenyl)-quinolin-8-ylmethanone?
The canonical SMILES for (2,4-dichlorophenyl)-quinolin-8-ylmethanone is O=C(c1ccc(Cl)cc1Cl)c1cccc2cccnc12.
What is the InChIKey of (2,4-dichlorophenyl)-quinolin-8-ylmethanone?
The InChIKey is RFEURLGUWNPZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2NO/c17-11-6-7-12(14(18)9-11)16(20)13-5-1-3-10-4-2-8-19-15(10)13/h1-9H.
What are the key properties of (2,4-dichlorophenyl)-quinolin-8-ylmethanone?
(2,4-dichlorophenyl)-quinolin-8-ylmethanone has a molecular weight of 302.16 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-quinolin-8-ylmethanone is sourced from PubChem (CID 115604879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).