(2,4-dimethylquinolin-3-yl)-diphenylphosphanylmethanone

C24H20NOP — CID 146222060

IUPAC(2,4-dimethylquinolin-3-yl)-diphenylphosphanylmethanone
SMILESCc1nc2ccccc2c(C)c1C(=O)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20NOP/c1-17-21-15-9-10-16-22(21)25-18(2)23(17)24(26)27(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16H,1-2H3
InChIKeyNCEGETKULIQGGV-UHFFFAOYSA-N
MW369.40 g/mol
LogP5.12
Rot. Bonds4

About (2,4-dimethylquinolin-3-yl)-diphenylphosphanylmethanone

(2,4-dimethylquinolin-3-yl)-diphenylphosphanylmethanone (PubChem CID 146222060) has the molecular formula C24H20NOP and a molecular weight of 369.40 g/mol. Its IUPAC name is (2,4-dimethylquinolin-3-yl)-diphenylphosphanylmethanone.

Molecular Properties

Compound Name(2,4-dimethylquinolin-3-yl)-diphenylphosphanylmethanone
PubChem CID146222060
Molecular FormulaC24H20NOP
Molecular Weight369.40 g/mol
Exact Mass369.13
IUPAC Name(2,4-dimethylquinolin-3-yl)-diphenylphosphanylmethanone
SMILESCc1nc2ccccc2c(C)c1C(=O)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20NOP/c1-17-21-15-9-10-16-22(21)25-18(2)23(17)24(26)27(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16H,1-2H3
InChIKeyNCEGETKULIQGGV-UHFFFAOYSA-N
XLogP5.12
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.40
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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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
(4-chlorophenyl)-(2,4-dimethylquinolin-3-yl)methanone
CID 2439813
N,N-diethyl-2,4-dimethylquinoline-3-carboxamide
CID 10824990
3-oxobutan-2-yl 2,4-dimethylquinoline-3-carboxylate
CID 18276143
2,3-dimethylquinoline-4-carbonyl chloride
CID 59105963
N-[(4-fluorophenyl)methyl]-2,4-dimethylquinoline-3-carboxamide
CID 9046354
[(1R)-2-oxocyclohexyl] 2,4-dimethylquinoline-3-carboxylate
CID 8824964
2,4-dimethyl-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide
CID 8966624
(4-nitrophenyl)methyl 2,4-dimethylquinoline-3-carboxylate
CID 8824958
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2,4-dimethylquinoline-3-carboxylate
CID 8825300

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylquinolin-3-yl)-diphenylphosphanylmethanone?
The IUPAC name of (2,4-dimethylquinolin-3-yl)-diphenylphosphanylmethanone (CID 146222060) is (2,4-dimethylquinolin-3-yl)-diphenylphosphanylmethanone.
What is the SMILES notation for (2,4-dimethylquinolin-3-yl)-diphenylphosphanylmethanone?
The canonical SMILES for (2,4-dimethylquinolin-3-yl)-diphenylphosphanylmethanone is Cc1nc2ccccc2c(C)c1C(=O)P(c1ccccc1)c1ccccc1.
What is the InChIKey of (2,4-dimethylquinolin-3-yl)-diphenylphosphanylmethanone?
The InChIKey is NCEGETKULIQGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20NOP/c1-17-21-15-9-10-16-22(21)25-18(2)23(17)24(26)27(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16H,1-2H3.
What are the key properties of (2,4-dimethylquinolin-3-yl)-diphenylphosphanylmethanone?
(2,4-dimethylquinolin-3-yl)-diphenylphosphanylmethanone has a molecular weight of 369.40 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylquinolin-3-yl)-diphenylphosphanylmethanone is sourced from PubChem (CID 146222060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).