(3-chloro-5-methylphenyl)-(2-methylquinolin-6-yl)methanone

C18H14ClNO — CID 115790335

IUPAC(3-chloro-5-methylphenyl)-(2-methylquinolin-6-yl)methanone
SMILESCc1cc(Cl)cc(C(=O)c2ccc3nc(C)ccc3c2)c1
InChIInChI=1S/C18H14ClNO/c1-11-7-15(10-16(19)8-11)18(21)14-5-6-17-13(9-14)4-3-12(2)20-17/h3-10H,1-2H3
InChIKeyJUZCFHYYSLKLQZ-UHFFFAOYSA-N
MW295.77 g/mol
LogP4.74
Rot. Bonds2

About (3-chloro-5-methylphenyl)-(2-methylquinolin-6-yl)methanone

(3-chloro-5-methylphenyl)-(2-methylquinolin-6-yl)methanone (PubChem CID 115790335) has the molecular formula C18H14ClNO and a molecular weight of 295.77 g/mol. Its IUPAC name is (3-chloro-5-methylphenyl)-(2-methylquinolin-6-yl)methanone.

Molecular Properties

Compound Name(3-chloro-5-methylphenyl)-(2-methylquinolin-6-yl)methanone
PubChem CID115790335
Molecular FormulaC18H14ClNO
Molecular Weight295.77 g/mol
Exact Mass295.08
IUPAC Name(3-chloro-5-methylphenyl)-(2-methylquinolin-6-yl)methanone
SMILESCc1cc(Cl)cc(C(=O)c2ccc3nc(C)ccc3c2)c1
InChIInChI=1S/C18H14ClNO/c1-11-7-15(10-16(19)8-11)18(21)14-5-6-17-13(9-14)4-3-12(2)20-17/h3-10H,1-2H3
InChIKeyJUZCFHYYSLKLQZ-UHFFFAOYSA-N
XLogP4.74
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-methylphenyl)-(2-methylquinolin-6-yl)methanone?
The IUPAC name of (3-chloro-5-methylphenyl)-(2-methylquinolin-6-yl)methanone (CID 115790335) is (3-chloro-5-methylphenyl)-(2-methylquinolin-6-yl)methanone.
What is the SMILES notation for (3-chloro-5-methylphenyl)-(2-methylquinolin-6-yl)methanone?
The canonical SMILES for (3-chloro-5-methylphenyl)-(2-methylquinolin-6-yl)methanone is Cc1cc(Cl)cc(C(=O)c2ccc3nc(C)ccc3c2)c1.
What is the InChIKey of (3-chloro-5-methylphenyl)-(2-methylquinolin-6-yl)methanone?
The InChIKey is JUZCFHYYSLKLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO/c1-11-7-15(10-16(19)8-11)18(21)14-5-6-17-13(9-14)4-3-12(2)20-17/h3-10H,1-2H3.
What are the key properties of (3-chloro-5-methylphenyl)-(2-methylquinolin-6-yl)methanone?
(3-chloro-5-methylphenyl)-(2-methylquinolin-6-yl)methanone has a molecular weight of 295.77 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-methylphenyl)-(2-methylquinolin-6-yl)methanone is sourced from PubChem (CID 115790335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).