(4-chlorophenyl)-(2,4-dimethylquinolin-3-yl)methanone

C18H14ClNO — CID 2439813

IUPAC(4-chlorophenyl)-(2,4-dimethylquinolin-3-yl)methanone
SMILESCc1nc2ccccc2c(C)c1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H14ClNO/c1-11-15-5-3-4-6-16(15)20-12(2)17(11)18(21)13-7-9-14(19)10-8-13/h3-10H,1-2H3
InChIKeyWKFFPRGQHYLPSF-UHFFFAOYSA-N
MW295.77 g/mol
LogP4.74
Rot. Bonds2

About (4-chlorophenyl)-(2,4-dimethylquinolin-3-yl)methanone

(4-chlorophenyl)-(2,4-dimethylquinolin-3-yl)methanone (PubChem CID 2439813) has the molecular formula C18H14ClNO and a molecular weight of 295.77 g/mol. Its IUPAC name is (4-chlorophenyl)-(2,4-dimethylquinolin-3-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(2,4-dimethylquinolin-3-yl)methanone
PubChem CID2439813
Molecular FormulaC18H14ClNO
Molecular Weight295.77 g/mol
Exact Mass295.08
IUPAC Name(4-chlorophenyl)-(2,4-dimethylquinolin-3-yl)methanone
SMILESCc1nc2ccccc2c(C)c1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H14ClNO/c1-11-15-5-3-4-6-16(15)20-12(2)17(11)18(21)13-7-9-14(19)10-8-13/h3-10H,1-2H3
InChIKeyWKFFPRGQHYLPSF-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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Related Compounds

N,N,2,4-tetramethylquinoline-3-carboxamide
CID 30331894
1-(2,4-dimethylquinolin-3-yl)-2,2,2-trifluoroethanone
CID 139234339
2,4-dimethylquinoline-3-carbohydrazide
CID 3811999
(2,4-dimethylquinolin-3-yl)-diphenylphosphanylmethanone
CID 146222060
(4-methyl-2-methylsulfanylquinolin-3-yl)-(4-methylphenyl)methanone
CID 139256386
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
CID 8825438
(4-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 71481457
N,N-diethyl-2,4-dimethylquinoline-3-carboxamide
CID 10824990
2,3-dimethylquinoline-4-carbonyl chloride
CID 59105963
3-oxobutan-2-yl 2,4-dimethylquinoline-3-carboxylate
CID 18276143
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2,4-dimethylquinoline-3-carboxylate
CID 8825277
(4-chlorophenyl)-phenylmethanone;propan-2-one
CID 175521712

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(2,4-dimethylquinolin-3-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(2,4-dimethylquinolin-3-yl)methanone (CID 2439813) is (4-chlorophenyl)-(2,4-dimethylquinolin-3-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(2,4-dimethylquinolin-3-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(2,4-dimethylquinolin-3-yl)methanone is Cc1nc2ccccc2c(C)c1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)-(2,4-dimethylquinolin-3-yl)methanone?
The InChIKey is WKFFPRGQHYLPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO/c1-11-15-5-3-4-6-16(15)20-12(2)17(11)18(21)13-7-9-14(19)10-8-13/h3-10H,1-2H3.
What are the key properties of (4-chlorophenyl)-(2,4-dimethylquinolin-3-yl)methanone?
(4-chlorophenyl)-(2,4-dimethylquinolin-3-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 (4-chlorophenyl)-(2,4-dimethylquinolin-3-yl)methanone is sourced from PubChem (CID 2439813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).