[4-(3,4-dimethoxyanilino)-6,7-dimethoxyquinolin-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone

C26H31N3O5 — CID 95050803

IUPAC[4-(3,4-dimethoxyanilino)-6,7-dimethoxyquinolin-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
SMILESCOc1ccc(Nc2cc(C(=O)N3CCC[C@H](C)C3)nc3cc(OC)c(OC)cc23)cc1OC
InChIInChI=1S/C26H31N3O5/c1-16-7-6-10-29(15-16)26(30)21-13-19(27-17-8-9-22(31-2)23(11-17)32-3)18-12-24(33-4)25(34-5)14-20(18)28-21/h8-9,11-14,16H,6-7,10,15H2,1-5H3,(H,27,28)/t16-/m0/s1
InChIKeyYWESFWUAWGKLHE-INIZCTEOSA-N
MW465.55 g/mol
LogP4.88
Rot. Bonds7

About [4-(3,4-dimethoxyanilino)-6,7-dimethoxyquinolin-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone

[4-(3,4-dimethoxyanilino)-6,7-dimethoxyquinolin-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone (PubChem CID 95050803) has the molecular formula C26H31N3O5 and a molecular weight of 465.55 g/mol. Its IUPAC name is [4-(3,4-dimethoxyanilino)-6,7-dimethoxyquinolin-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(3,4-dimethoxyanilino)-6,7-dimethoxyquinolin-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
PubChem CID95050803
Molecular FormulaC26H31N3O5
Molecular Weight465.55 g/mol
Exact Mass465.23
IUPAC Name[4-(3,4-dimethoxyanilino)-6,7-dimethoxyquinolin-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
SMILESCOc1ccc(Nc2cc(C(=O)N3CCC[C@H](C)C3)nc3cc(OC)c(OC)cc23)cc1OC
InChIInChI=1S/C26H31N3O5/c1-16-7-6-10-29(15-16)26(30)21-13-19(27-17-8-9-22(31-2)23(11-17)32-3)18-12-24(33-4)25(34-5)14-20(18)28-21/h8-9,11-14,16H,6-7,10,15H2,1-5H3,(H,27,28)/t16-/m0/s1
InChIKeyYWESFWUAWGKLHE-INIZCTEOSA-N
XLogP4.88
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-(3,4-dimethoxyanilino)-6,7-dimethoxyquinolin-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone with MolForge

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Related Compounds

[4-(3,4-difluoroanilino)-6,7-dimethoxyquinolin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 53002782
[2-(3,4-dimethoxyanilino)-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109175732
[2-(3-chloro-4-methoxyanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109334057
(3-methylpiperidin-1-yl)-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]methanone
CID 109196398
(4-methylpiperidin-1-yl)-[6-methyl-4-(3,4,5-trimethoxyanilino)quinolin-2-yl]methanone
CID 53113742
(4-hydrazinylquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone
CID 63375198
[(3R)-3-(3,4-dimethoxyanilino)piperidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone
CID 30852240
[2-(3,4-dimethoxyanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109321853
[5-(5-chloro-2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109288721
[2-(3,4-dimethylanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109312774
ethyl 4-[[6-methoxy-2-(4-methylpiperidine-1-carbonyl)quinolin-4-yl]amino]benzoate
CID 53002745
[6-(4-bromoanilino)-2-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 112847420

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethoxyanilino)-6,7-dimethoxyquinolin-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone?
The IUPAC name of [4-(3,4-dimethoxyanilino)-6,7-dimethoxyquinolin-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone (CID 95050803) is [4-(3,4-dimethoxyanilino)-6,7-dimethoxyquinolin-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone.
What is the SMILES notation for [4-(3,4-dimethoxyanilino)-6,7-dimethoxyquinolin-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone?
The canonical SMILES for [4-(3,4-dimethoxyanilino)-6,7-dimethoxyquinolin-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone is COc1ccc(Nc2cc(C(=O)N3CCC[C@H](C)C3)nc3cc(OC)c(OC)cc23)cc1OC.
What is the InChIKey of [4-(3,4-dimethoxyanilino)-6,7-dimethoxyquinolin-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone?
The InChIKey is YWESFWUAWGKLHE-INIZCTEOSA-N. The full InChI is InChI=1S/C26H31N3O5/c1-16-7-6-10-29(15-16)26(30)21-13-19(27-17-8-9-22(31-2)23(11-17)32-3)18-12-24(33-4)25(34-5)14-20(18)28-21/h8-9,11-14,16H,6-7,10,15H2,1-5H3,(H,27,28)/t16-/m0/s1.
What are the key properties of [4-(3,4-dimethoxyanilino)-6,7-dimethoxyquinolin-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone?
[4-(3,4-dimethoxyanilino)-6,7-dimethoxyquinolin-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone has a molecular weight of 465.55 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethoxyanilino)-6,7-dimethoxyquinolin-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 95050803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).