1-(4-anilino-7-methyl-3-propanoylquinolin-6-yl)pentan-2-one

C24H26N2O2 — CID 159144496

IUPAC1-(4-anilino-7-methyl-3-propanoylquinolin-6-yl)pentan-2-one
SMILESCCCC(=O)Cc1cc2c(Nc3ccccc3)c(C(=O)CC)cnc2cc1C
InChIInChI=1S/C24H26N2O2/c1-4-9-19(27)13-17-14-20-22(12-16(17)3)25-15-21(23(28)5-2)24(20)26-18-10-7-6-8-11-18/h6-8,10-12,14-15H,4-5,9,13H2,1-3H3,(H,25,26)
InChIKeyCQODBIQCRPLWKE-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.79
Rot. Bonds8

About 1-(4-anilino-7-methyl-3-propanoylquinolin-6-yl)pentan-2-one

1-(4-anilino-7-methyl-3-propanoylquinolin-6-yl)pentan-2-one (PubChem CID 159144496) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 1-(4-anilino-7-methyl-3-propanoylquinolin-6-yl)pentan-2-one.

Molecular Properties

Compound Name1-(4-anilino-7-methyl-3-propanoylquinolin-6-yl)pentan-2-one
PubChem CID159144496
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name1-(4-anilino-7-methyl-3-propanoylquinolin-6-yl)pentan-2-one
SMILESCCCC(=O)Cc1cc2c(Nc3ccccc3)c(C(=O)CC)cnc2cc1C
InChIInChI=1S/C24H26N2O2/c1-4-9-19(27)13-17-14-20-22(12-16(17)3)25-15-21(23(28)5-2)24(20)26-18-10-7-6-8-11-18/h6-8,10-12,14-15H,4-5,9,13H2,1-3H3,(H,25,26)
InChIKeyCQODBIQCRPLWKE-UHFFFAOYSA-N
XLogP5.79
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-anilino-4-methyl-3-pyridinyl)propan-1-one
CID 102545372
methyl 4-anilino-7-methyl-6-propan-2-ylquinoline-3-carboxylate
CID 158892073
diethyl 4-(4-anilinoanilino)quinoline-3,6-dicarboxylate
CID 23936289
4-anilino-6,7-dimethoxy-N-methylquinoline-3-carboxamide
CID 127029779
1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-(hydroxymethyl)quinolin-3-yl]-2-cyclopropylethanone
CID 161307024
3-acetyl-4-anilino-N-butylquinoline-6-carboxamide;4-anilino-6-N-butyl-3-N-tert-butyl-7-methoxyquinoline-3,6-dicarboxamide;4-anilino-N-butyl-7-fluoro-3-propanoylquinoline-6-carboxamide;4-anilino-N-butyl-7-methoxy-3-propanoylquinoline-6-carboxamide;4-anilino-N-butyl-3-propanoylquinoline-6-carboxamide;1-(4-anilino-7-methyl-3-propanoylquinolin-6-yl)hexan-1-one
CID 162208178
[3-butanoyl-4-(2-methylanilino)quinolin-6-yl]methyl benzoate
CID 19923006
4-anilino-6-(hexylamino)-N-methylquinoline-3-carboxamide
CID 156631271
4-amino-N-cyclopropyl-7-(hydroxymethyl)-6-(2-propylsulfinylethyl)quinoline-3-carboxamide;4-anilino-N-cyclopropyl-7-(hydroxymethyl)-6-(2-propylsulfinylethyl)quinoline-3-carboxamide;1-[4-anilino-7-fluoro-6-(2-propylsulfinylethyl)quinolin-3-yl]propan-1-one;1-[4-anilino-7-methyl-6-(2-propylsulfinylethyl)quinolin-3-yl]propan-1-one;N-cyclopropyl-7-(hydroxymethyl)-4-[(4-methoxyphenyl)methylamino]-6-(2-propylsulfinylethyl)quinoline-3-carboxamide;N-cyclopropyl-7-(hydroxymethyl)-4-(methylamino)-6-(2-propylsulfinylethyl)quinoline-3-carboxamide;methane
CID 157263868
1-[4-(2,6-dimethylanilino)-8-hydroxyquinolin-3-yl]propan-1-one
CID 10426158
1-[4-anilino-6-[6-(butylamino)-3-pyridinyl]quinolin-3-yl]ethanone
CID 161061498
ethyl 4-anilino-8-chloroquinoline-3-carboxylate
CID 728783

Frequently Asked Questions

What is the IUPAC name of 1-(4-anilino-7-methyl-3-propanoylquinolin-6-yl)pentan-2-one?
The IUPAC name of 1-(4-anilino-7-methyl-3-propanoylquinolin-6-yl)pentan-2-one (CID 159144496) is 1-(4-anilino-7-methyl-3-propanoylquinolin-6-yl)pentan-2-one.
What is the SMILES notation for 1-(4-anilino-7-methyl-3-propanoylquinolin-6-yl)pentan-2-one?
The canonical SMILES for 1-(4-anilino-7-methyl-3-propanoylquinolin-6-yl)pentan-2-one is CCCC(=O)Cc1cc2c(Nc3ccccc3)c(C(=O)CC)cnc2cc1C.
What is the InChIKey of 1-(4-anilino-7-methyl-3-propanoylquinolin-6-yl)pentan-2-one?
The InChIKey is CQODBIQCRPLWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-4-9-19(27)13-17-14-20-22(12-16(17)3)25-15-21(23(28)5-2)24(20)26-18-10-7-6-8-11-18/h6-8,10-12,14-15H,4-5,9,13H2,1-3H3,(H,25,26).
What are the key properties of 1-(4-anilino-7-methyl-3-propanoylquinolin-6-yl)pentan-2-one?
1-(4-anilino-7-methyl-3-propanoylquinolin-6-yl)pentan-2-one has a molecular weight of 374.48 g/mol, XLogP of 5.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-anilino-7-methyl-3-propanoylquinolin-6-yl)pentan-2-one is sourced from PubChem (CID 159144496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).