(4-methylpiperidin-1-yl)-[6-methyl-4-(3,4,5-trimethoxyanilino)quinolin-2-yl]methanone

C26H31N3O4 — CID 53113742

IUPAC(4-methylpiperidin-1-yl)-[6-methyl-4-(3,4,5-trimethoxyanilino)quinolin-2-yl]methanone
SMILESCOc1cc(Nc2cc(C(=O)N3CCC(C)CC3)nc3ccc(C)cc23)cc(OC)c1OC
InChIInChI=1S/C26H31N3O4/c1-16-8-10-29(11-9-16)26(30)22-15-21(19-12-17(2)6-7-20(19)28-22)27-18-13-23(31-3)25(33-5)24(14-18)32-4/h6-7,12-16H,8-11H2,1-5H3,(H,27,28)
InChIKeyPPEWNWLWUHYMPY-UHFFFAOYSA-N
MW449.55 g/mol
LogP5.18
Rot. Bonds6

About (4-methylpiperidin-1-yl)-[6-methyl-4-(3,4,5-trimethoxyanilino)quinolin-2-yl]methanone

(4-methylpiperidin-1-yl)-[6-methyl-4-(3,4,5-trimethoxyanilino)quinolin-2-yl]methanone (PubChem CID 53113742) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[6-methyl-4-(3,4,5-trimethoxyanilino)quinolin-2-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[6-methyl-4-(3,4,5-trimethoxyanilino)quinolin-2-yl]methanone
PubChem CID53113742
Molecular FormulaC26H31N3O4
Molecular Weight449.55 g/mol
Exact Mass449.23
IUPAC Name(4-methylpiperidin-1-yl)-[6-methyl-4-(3,4,5-trimethoxyanilino)quinolin-2-yl]methanone
SMILESCOc1cc(Nc2cc(C(=O)N3CCC(C)CC3)nc3ccc(C)cc23)cc(OC)c1OC
InChIInChI=1S/C26H31N3O4/c1-16-8-10-29(11-9-16)26(30)22-15-21(19-12-17(2)6-7-20(19)28-22)27-18-13-23(31-3)25(33-5)24(14-18)32-4/h6-7,12-16H,8-11H2,1-5H3,(H,27,28)
InChIKeyPPEWNWLWUHYMPY-UHFFFAOYSA-N
XLogP5.18
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.55
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4-methylpiperidin-1-yl)-[6-methyl-4-(3,4,5-trimethoxyanilino)quinolin-2-yl]methanone with MolForge

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Related Compounds

1-[4-[[6-methyl-2-(4-methylpiperidine-1-carbonyl)quinolin-4-yl]amino]phenyl]ethanone
CID 53113743
ethyl 3-[[6-methyl-2-(4-methylpiperidine-1-carbonyl)quinolin-4-yl]amino]benzoate
CID 53020946
[4-(3,4-difluoroanilino)-6,7-dimethoxyquinolin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 53002782
ethyl 4-[[6-methoxy-2-(4-methylpiperidine-1-carbonyl)quinolin-4-yl]amino]benzoate
CID 53002745
[6-(2-methoxy-5-methylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364363
[4-(3,4-dimethoxyanilino)-6,7-dimethoxyquinolin-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95050803
methyl 4-(3,4-dimethylanilino)-6-methylquinoline-2-carboxylate
CID 53113261
[6-(4-methoxyanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364360
[4-(2,5-difluoroanilino)quinolin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 53020925
1-(4-methylpiperidin-1-yl)-2-(3,4,5-trimethoxyanilino)ethanone
CID 108993787
[4-(2,4-dimethylanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205152
(3-methylpiperidin-1-yl)-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]methanone
CID 109196398

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[6-methyl-4-(3,4,5-trimethoxyanilino)quinolin-2-yl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[6-methyl-4-(3,4,5-trimethoxyanilino)quinolin-2-yl]methanone (CID 53113742) is (4-methylpiperidin-1-yl)-[6-methyl-4-(3,4,5-trimethoxyanilino)quinolin-2-yl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[6-methyl-4-(3,4,5-trimethoxyanilino)quinolin-2-yl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[6-methyl-4-(3,4,5-trimethoxyanilino)quinolin-2-yl]methanone is COc1cc(Nc2cc(C(=O)N3CCC(C)CC3)nc3ccc(C)cc23)cc(OC)c1OC.
What is the InChIKey of (4-methylpiperidin-1-yl)-[6-methyl-4-(3,4,5-trimethoxyanilino)quinolin-2-yl]methanone?
The InChIKey is PPEWNWLWUHYMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-16-8-10-29(11-9-16)26(30)22-15-21(19-12-17(2)6-7-20(19)28-22)27-18-13-23(31-3)25(33-5)24(14-18)32-4/h6-7,12-16H,8-11H2,1-5H3,(H,27,28).
What are the key properties of (4-methylpiperidin-1-yl)-[6-methyl-4-(3,4,5-trimethoxyanilino)quinolin-2-yl]methanone?
(4-methylpiperidin-1-yl)-[6-methyl-4-(3,4,5-trimethoxyanilino)quinolin-2-yl]methanone has a molecular weight of 449.55 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[6-methyl-4-(3,4,5-trimethoxyanilino)quinolin-2-yl]methanone is sourced from PubChem (CID 53113742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).