1-[4-[[6-methyl-2-(4-methylpiperidine-1-carbonyl)quinolin-4-yl]amino]phenyl]ethanone

C25H27N3O2 — CID 53113743

IUPAC1-[4-[[6-methyl-2-(4-methylpiperidine-1-carbonyl)quinolin-4-yl]amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2cc(C(=O)N3CCC(C)CC3)nc3ccc(C)cc23)cc1
InChIInChI=1S/C25H27N3O2/c1-16-10-12-28(13-11-16)25(30)24-15-23(21-14-17(2)4-9-22(21)27-24)26-20-7-5-19(6-8-20)18(3)29/h4-9,14-16H,10-13H2,1-3H3,(H,26,27)
InChIKeyMERBNDYSJFCNCC-UHFFFAOYSA-N
MW401.51 g/mol
LogP5.36
Rot. Bonds4

About 1-[4-[[6-methyl-2-(4-methylpiperidine-1-carbonyl)quinolin-4-yl]amino]phenyl]ethanone

1-[4-[[6-methyl-2-(4-methylpiperidine-1-carbonyl)quinolin-4-yl]amino]phenyl]ethanone (PubChem CID 53113743) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 1-[4-[[6-methyl-2-(4-methylpiperidine-1-carbonyl)quinolin-4-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[6-methyl-2-(4-methylpiperidine-1-carbonyl)quinolin-4-yl]amino]phenyl]ethanone
PubChem CID53113743
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name1-[4-[[6-methyl-2-(4-methylpiperidine-1-carbonyl)quinolin-4-yl]amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2cc(C(=O)N3CCC(C)CC3)nc3ccc(C)cc23)cc1
InChIInChI=1S/C25H27N3O2/c1-16-10-12-28(13-11-16)25(30)24-15-23(21-14-17(2)4-9-22(21)27-24)26-20-7-5-19(6-8-20)18(3)29/h4-9,14-16H,10-13H2,1-3H3,(H,26,27)
InChIKeyMERBNDYSJFCNCC-UHFFFAOYSA-N
XLogP5.36
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[[6-methyl-2-(4-methylpiperidine-1-carbonyl)quinolin-4-yl]amino]phenyl]ethanone with MolForge

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Related Compounds

(4-methylpiperidin-1-yl)-[6-methyl-4-(3,4,5-trimethoxyanilino)quinolin-2-yl]methanone
CID 53113742
ethyl 3-[[6-methyl-2-(4-methylpiperidine-1-carbonyl)quinolin-4-yl]amino]benzoate
CID 53020946
ethyl 4-[[6-methoxy-2-(4-methylpiperidine-1-carbonyl)quinolin-4-yl]amino]benzoate
CID 53002745
[4-(3,4-difluoroanilino)-6,7-dimethoxyquinolin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 53002782
[4-(2,5-difluoroanilino)quinolin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 53020925
methyl 4-[[2-methyl-6-(4-methylpiperidine-1-carbonyl)pyrimidin-4-yl]amino]benzoate
CID 109364378
[4-(2,4-dimethylanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205152
1-[3-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]ethanone
CID 109183366
1-[4-[[4-(4-acetylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone
CID 109326746
[6-(4-methoxyanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364360
(6-anilino-2-phenylpyrimidin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 112853073
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[6-methyl-2-(4-methylpiperidine-1-carbonyl)quinolin-4-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[4-[[6-methyl-2-(4-methylpiperidine-1-carbonyl)quinolin-4-yl]amino]phenyl]ethanone (CID 53113743) is 1-[4-[[6-methyl-2-(4-methylpiperidine-1-carbonyl)quinolin-4-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[6-methyl-2-(4-methylpiperidine-1-carbonyl)quinolin-4-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[[6-methyl-2-(4-methylpiperidine-1-carbonyl)quinolin-4-yl]amino]phenyl]ethanone is CC(=O)c1ccc(Nc2cc(C(=O)N3CCC(C)CC3)nc3ccc(C)cc23)cc1.
What is the InChIKey of 1-[4-[[6-methyl-2-(4-methylpiperidine-1-carbonyl)quinolin-4-yl]amino]phenyl]ethanone?
The InChIKey is MERBNDYSJFCNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-16-10-12-28(13-11-16)25(30)24-15-23(21-14-17(2)4-9-22(21)27-24)26-20-7-5-19(6-8-20)18(3)29/h4-9,14-16H,10-13H2,1-3H3,(H,26,27).
What are the key properties of 1-[4-[[6-methyl-2-(4-methylpiperidine-1-carbonyl)quinolin-4-yl]amino]phenyl]ethanone?
1-[4-[[6-methyl-2-(4-methylpiperidine-1-carbonyl)quinolin-4-yl]amino]phenyl]ethanone has a molecular weight of 401.51 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[6-methyl-2-(4-methylpiperidine-1-carbonyl)quinolin-4-yl]amino]phenyl]ethanone is sourced from PubChem (CID 53113743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).