1-[8-(4-chloro-2-methylphenyl)-2-methylquinolin-4-yl]propan-1-one

C20H18ClNO — CID 18629408

IUPAC1-[8-(4-chloro-2-methylphenyl)-2-methylquinolin-4-yl]propan-1-one
SMILESCCC(=O)c1cc(C)nc2c(-c3ccc(Cl)cc3C)cccc12
InChIInChI=1S/C20H18ClNO/c1-4-19(23)18-11-13(3)22-20-16(6-5-7-17(18)20)15-9-8-14(21)10-12(15)2/h5-11H,4H2,1-3H3
InChIKeyLEJYXJJEPUYABC-UHFFFAOYSA-N
MW323.82 g/mol
LogP5.76
Rot. Bonds3

About 1-[8-(4-chloro-2-methylphenyl)-2-methylquinolin-4-yl]propan-1-one

1-[8-(4-chloro-2-methylphenyl)-2-methylquinolin-4-yl]propan-1-one (PubChem CID 18629408) has the molecular formula C20H18ClNO and a molecular weight of 323.82 g/mol. Its IUPAC name is 1-[8-(4-chloro-2-methylphenyl)-2-methylquinolin-4-yl]propan-1-one.

Molecular Properties

Compound Name1-[8-(4-chloro-2-methylphenyl)-2-methylquinolin-4-yl]propan-1-one
PubChem CID18629408
Molecular FormulaC20H18ClNO
Molecular Weight323.82 g/mol
Exact Mass323.11
IUPAC Name1-[8-(4-chloro-2-methylphenyl)-2-methylquinolin-4-yl]propan-1-one
SMILESCCC(=O)c1cc(C)nc2c(-c3ccc(Cl)cc3C)cccc12
InChIInChI=1S/C20H18ClNO/c1-4-19(23)18-11-13(3)22-20-16(6-5-7-17(18)20)15-9-8-14(21)10-12(15)2/h5-11H,4H2,1-3H3
InChIKeyLEJYXJJEPUYABC-UHFFFAOYSA-N
XLogP5.76
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.82
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[8-(4-chloro-2-methylphenyl)-2-methylquinolin-4-yl]propan-1-one?
The IUPAC name of 1-[8-(4-chloro-2-methylphenyl)-2-methylquinolin-4-yl]propan-1-one (CID 18629408) is 1-[8-(4-chloro-2-methylphenyl)-2-methylquinolin-4-yl]propan-1-one.
What is the SMILES notation for 1-[8-(4-chloro-2-methylphenyl)-2-methylquinolin-4-yl]propan-1-one?
The canonical SMILES for 1-[8-(4-chloro-2-methylphenyl)-2-methylquinolin-4-yl]propan-1-one is CCC(=O)c1cc(C)nc2c(-c3ccc(Cl)cc3C)cccc12.
What is the InChIKey of 1-[8-(4-chloro-2-methylphenyl)-2-methylquinolin-4-yl]propan-1-one?
The InChIKey is LEJYXJJEPUYABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO/c1-4-19(23)18-11-13(3)22-20-16(6-5-7-17(18)20)15-9-8-14(21)10-12(15)2/h5-11H,4H2,1-3H3.
What are the key properties of 1-[8-(4-chloro-2-methylphenyl)-2-methylquinolin-4-yl]propan-1-one?
1-[8-(4-chloro-2-methylphenyl)-2-methylquinolin-4-yl]propan-1-one has a molecular weight of 323.82 g/mol, XLogP of 5.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(4-chloro-2-methylphenyl)-2-methylquinolin-4-yl]propan-1-one is sourced from PubChem (CID 18629408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).