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

C24H25F2N3O3 — CID 53002782

IUPAC[4-(3,4-difluoroanilino)-6,7-dimethoxyquinolin-2-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCOc1cc2nc(C(=O)N3CCC(C)CC3)cc(Nc3ccc(F)c(F)c3)c2cc1OC
InChIInChI=1S/C24H25F2N3O3/c1-14-6-8-29(9-7-14)24(30)21-12-19(27-15-4-5-17(25)18(26)10-15)16-11-22(31-2)23(32-3)13-20(16)28-21/h4-5,10-14H,6-9H2,1-3H3,(H,27,28)
InChIKeyWQFXLOHBKZYGHT-UHFFFAOYSA-N
MW441.48 g/mol
LogP5.15
Rot. Bonds5

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

[4-(3,4-difluoroanilino)-6,7-dimethoxyquinolin-2-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 53002782) has the molecular formula C24H25F2N3O3 and a molecular weight of 441.48 g/mol. Its IUPAC name is [4-(3,4-difluoroanilino)-6,7-dimethoxyquinolin-2-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(3,4-difluoroanilino)-6,7-dimethoxyquinolin-2-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID53002782
Molecular FormulaC24H25F2N3O3
Molecular Weight441.48 g/mol
Exact Mass441.19
IUPAC Name[4-(3,4-difluoroanilino)-6,7-dimethoxyquinolin-2-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCOc1cc2nc(C(=O)N3CCC(C)CC3)cc(Nc3ccc(F)c(F)c3)c2cc1OC
InChIInChI=1S/C24H25F2N3O3/c1-14-6-8-29(9-7-14)24(30)21-12-19(27-15-4-5-17(25)18(26)10-15)16-11-22(31-2)23(32-3)13-20(16)28-21/h4-5,10-14H,6-9H2,1-3H3,(H,27,28)
InChIKeyWQFXLOHBKZYGHT-UHFFFAOYSA-N
XLogP5.15
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.48
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3,4-dimethoxyanilino)-6,7-dimethoxyquinolin-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95050803
(4-methylpiperidin-1-yl)-[6-methyl-4-(3,4,5-trimethoxyanilino)quinolin-2-yl]methanone
CID 53113742
ethyl 4-[[6-methoxy-2-(4-methylpiperidine-1-carbonyl)quinolin-4-yl]amino]benzoate
CID 53002745
[4-(2,5-difluoroanilino)quinolin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 53020925
1-[4-[[6-methyl-2-(4-methylpiperidine-1-carbonyl)quinolin-4-yl]amino]phenyl]ethanone
CID 53113743
N-(3,4-difluorophenyl)-6-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095552
ethyl 3-[[6-methyl-2-(4-methylpiperidine-1-carbonyl)quinolin-4-yl]amino]benzoate
CID 53020946
N-(3,4-difluorophenyl)-2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 5174799
[6-(4-methoxyanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364360
[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109183348
[6-(2-methoxy-5-methylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364363
[4-(3,4-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
CID 146064202

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-difluoroanilino)-6,7-dimethoxyquinolin-2-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-(3,4-difluoroanilino)-6,7-dimethoxyquinolin-2-yl]-(4-methylpiperidin-1-yl)methanone (CID 53002782) is [4-(3,4-difluoroanilino)-6,7-dimethoxyquinolin-2-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(3,4-difluoroanilino)-6,7-dimethoxyquinolin-2-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(3,4-difluoroanilino)-6,7-dimethoxyquinolin-2-yl]-(4-methylpiperidin-1-yl)methanone is COc1cc2nc(C(=O)N3CCC(C)CC3)cc(Nc3ccc(F)c(F)c3)c2cc1OC.
What is the InChIKey of [4-(3,4-difluoroanilino)-6,7-dimethoxyquinolin-2-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is WQFXLOHBKZYGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N3O3/c1-14-6-8-29(9-7-14)24(30)21-12-19(27-15-4-5-17(25)18(26)10-15)16-11-22(31-2)23(32-3)13-20(16)28-21/h4-5,10-14H,6-9H2,1-3H3,(H,27,28).
What are the key properties of [4-(3,4-difluoroanilino)-6,7-dimethoxyquinolin-2-yl]-(4-methylpiperidin-1-yl)methanone?
[4-(3,4-difluoroanilino)-6,7-dimethoxyquinolin-2-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 441.48 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-difluoroanilino)-6,7-dimethoxyquinolin-2-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 53002782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).