(3-chloro-4-methylphenyl)-quinolin-6-ylmethanone

C17H12ClNO — CID 115790583

IUPAC(3-chloro-4-methylphenyl)-quinolin-6-ylmethanone
SMILESCc1ccc(C(=O)c2ccc3ncccc3c2)cc1Cl
InChIInChI=1S/C17H12ClNO/c1-11-4-5-14(10-15(11)18)17(20)13-6-7-16-12(9-13)3-2-8-19-16/h2-10H,1H3
InChIKeyRXFGNLRNMZEJSA-UHFFFAOYSA-N
MW281.74 g/mol
LogP4.43
Rot. Bonds2

About (3-chloro-4-methylphenyl)-quinolin-6-ylmethanone

(3-chloro-4-methylphenyl)-quinolin-6-ylmethanone (PubChem CID 115790583) has the molecular formula C17H12ClNO and a molecular weight of 281.74 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-quinolin-6-ylmethanone.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-quinolin-6-ylmethanone
PubChem CID115790583
Molecular FormulaC17H12ClNO
Molecular Weight281.74 g/mol
Exact Mass281.06
IUPAC Name(3-chloro-4-methylphenyl)-quinolin-6-ylmethanone
SMILESCc1ccc(C(=O)c2ccc3ncccc3c2)cc1Cl
InChIInChI=1S/C17H12ClNO/c1-11-4-5-14(10-15(11)18)17(20)13-6-7-16-12(9-13)3-2-8-19-16/h2-10H,1H3
InChIKeyRXFGNLRNMZEJSA-UHFFFAOYSA-N
XLogP4.43
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-3-chlorophenyl)-quinolin-6-ylmethanone
CID 115790550
(4-bromo-3,5-dimethylphenyl)-quinolin-6-ylmethanone
CID 114329700
(3-methyl-2-pyridinyl)-quinolin-6-ylmethanone
CID 81220326
(3-chloro-4-methylphenyl)-(2-methylquinolin-6-yl)methanone
CID 115790445
ethane;quinoline-6-carboxylic acid
CID 91364452
pyridin-3-yl(quinolin-6-yl)methanone
CID 63097549
(3-chloro-4-methylphenyl)-(6-methyl-3-pyridinyl)methanone
CID 114971606
(2-fluoro-4,6-dimethylphenyl)-quinolin-6-ylmethanone
CID 106880775
(3-chloro-2-fluorophenyl)-quinolin-6-ylmethanone
CID 81220410
(3,6-dimethylpyridazin-4-yl)-quinolin-6-ylmethanone
CID 105121617
(2-methylthiophen-3-yl)-quinolin-6-ylmethanone
CID 102830747
(3-bromoquinolin-2-yl)-(3-chloro-4-methylphenyl)methanone
CID 107559916

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-quinolin-6-ylmethanone?
The IUPAC name of (3-chloro-4-methylphenyl)-quinolin-6-ylmethanone (CID 115790583) is (3-chloro-4-methylphenyl)-quinolin-6-ylmethanone.
What is the SMILES notation for (3-chloro-4-methylphenyl)-quinolin-6-ylmethanone?
The canonical SMILES for (3-chloro-4-methylphenyl)-quinolin-6-ylmethanone is Cc1ccc(C(=O)c2ccc3ncccc3c2)cc1Cl.
What is the InChIKey of (3-chloro-4-methylphenyl)-quinolin-6-ylmethanone?
The InChIKey is RXFGNLRNMZEJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO/c1-11-4-5-14(10-15(11)18)17(20)13-6-7-16-12(9-13)3-2-8-19-16/h2-10H,1H3.
What are the key properties of (3-chloro-4-methylphenyl)-quinolin-6-ylmethanone?
(3-chloro-4-methylphenyl)-quinolin-6-ylmethanone has a molecular weight of 281.74 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)-quinolin-6-ylmethanone is sourced from PubChem (CID 115790583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).