(3,4-dichlorophenyl)-quinolin-2-ylmethanone

C16H9Cl2NO — CID 45270900

IUPAC(3,4-dichlorophenyl)-quinolin-2-ylmethanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)c1ccc2ccccc2n1
InChIInChI=1S/C16H9Cl2NO/c17-12-7-5-11(9-13(12)18)16(20)15-8-6-10-3-1-2-4-14(10)19-15/h1-9H
InChIKeyAZOFDVUIHSRINF-UHFFFAOYSA-N
MW302.16 g/mol
LogP4.77
Rot. Bonds2

About (3,4-dichlorophenyl)-quinolin-2-ylmethanone

(3,4-dichlorophenyl)-quinolin-2-ylmethanone (PubChem CID 45270900) has the molecular formula C16H9Cl2NO and a molecular weight of 302.16 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-quinolin-2-ylmethanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-quinolin-2-ylmethanone
PubChem CID45270900
Molecular FormulaC16H9Cl2NO
Molecular Weight302.16 g/mol
Exact Mass301.01
IUPAC Name(3,4-dichlorophenyl)-quinolin-2-ylmethanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)c1ccc2ccccc2n1
InChIInChI=1S/C16H9Cl2NO/c17-12-7-5-11(9-13(12)18)16(20)15-8-6-10-3-1-2-4-14(10)19-15/h1-9H
InChIKeyAZOFDVUIHSRINF-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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Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-quinolin-2-ylmethanone?
The IUPAC name of (3,4-dichlorophenyl)-quinolin-2-ylmethanone (CID 45270900) is (3,4-dichlorophenyl)-quinolin-2-ylmethanone.
What is the SMILES notation for (3,4-dichlorophenyl)-quinolin-2-ylmethanone?
The canonical SMILES for (3,4-dichlorophenyl)-quinolin-2-ylmethanone is O=C(c1ccc(Cl)c(Cl)c1)c1ccc2ccccc2n1.
What is the InChIKey of (3,4-dichlorophenyl)-quinolin-2-ylmethanone?
The InChIKey is AZOFDVUIHSRINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2NO/c17-12-7-5-11(9-13(12)18)16(20)15-8-6-10-3-1-2-4-14(10)19-15/h1-9H.
What are the key properties of (3,4-dichlorophenyl)-quinolin-2-ylmethanone?
(3,4-dichlorophenyl)-quinolin-2-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 (3,4-dichlorophenyl)-quinolin-2-ylmethanone is sourced from PubChem (CID 45270900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).