[4-(2,5-difluoroanilino)quinolin-2-yl]-(4-methylpiperidin-1-yl)methanone

C22H21F2N3O — CID 53020925

IUPAC[4-(2,5-difluoroanilino)quinolin-2-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(Nc3cc(F)ccc3F)c3ccccc3n2)CC1
InChIInChI=1S/C22H21F2N3O/c1-14-8-10-27(11-9-14)22(28)21-13-19(16-4-2-3-5-18(16)25-21)26-20-12-15(23)6-7-17(20)24/h2-7,12-14H,8-11H2,1H3,(H,25,26)
InChIKeyVNXSTPUMMLTLRI-UHFFFAOYSA-N
MW381.43 g/mol
LogP5.13
Rot. Bonds3

About [4-(2,5-difluoroanilino)quinolin-2-yl]-(4-methylpiperidin-1-yl)methanone

[4-(2,5-difluoroanilino)quinolin-2-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 53020925) has the molecular formula C22H21F2N3O and a molecular weight of 381.43 g/mol. Its IUPAC name is [4-(2,5-difluoroanilino)quinolin-2-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(2,5-difluoroanilino)quinolin-2-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID53020925
Molecular FormulaC22H21F2N3O
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name[4-(2,5-difluoroanilino)quinolin-2-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(Nc3cc(F)ccc3F)c3ccccc3n2)CC1
InChIInChI=1S/C22H21F2N3O/c1-14-8-10-27(11-9-14)22(28)21-13-19(16-4-2-3-5-18(16)25-21)26-20-12-15(23)6-7-17(20)24/h2-7,12-14H,8-11H2,1H3,(H,25,26)
InChIKeyVNXSTPUMMLTLRI-UHFFFAOYSA-N
XLogP5.13
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.43
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-hydrazinylquinolin-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 63375065
(7-fluoroquinolin-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 110485391
(6-fluoroquinolin-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 110464452
[4-(3,4-difluoroanilino)-6,7-dimethoxyquinolin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 53002782
(4-hydrazinylquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone
CID 63375198
N-(2,5-difluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223019
1-[4-[[6-methyl-2-(4-methylpiperidine-1-carbonyl)quinolin-4-yl]amino]phenyl]ethanone
CID 53113743
[6-(2,4-difluorophenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 58211385
[4-(ethylamino)quinolin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 63375602
(6-anilino-2-phenylpyrimidin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 112853073
(4-methylpiperidin-1-yl)-[6-methyl-4-(3,4,5-trimethoxyanilino)quinolin-2-yl]methanone
CID 53113742
methyl 4-(4-fluoroanilino)quinoline-2-carboxylate
CID 53113237

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-difluoroanilino)quinolin-2-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-(2,5-difluoroanilino)quinolin-2-yl]-(4-methylpiperidin-1-yl)methanone (CID 53020925) is [4-(2,5-difluoroanilino)quinolin-2-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(2,5-difluoroanilino)quinolin-2-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(2,5-difluoroanilino)quinolin-2-yl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cc(Nc3cc(F)ccc3F)c3ccccc3n2)CC1.
What is the InChIKey of [4-(2,5-difluoroanilino)quinolin-2-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is VNXSTPUMMLTLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3O/c1-14-8-10-27(11-9-14)22(28)21-13-19(16-4-2-3-5-18(16)25-21)26-20-12-15(23)6-7-17(20)24/h2-7,12-14H,8-11H2,1H3,(H,25,26).
What are the key properties of [4-(2,5-difluoroanilino)quinolin-2-yl]-(4-methylpiperidin-1-yl)methanone?
[4-(2,5-difluoroanilino)quinolin-2-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 381.43 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-difluoroanilino)quinolin-2-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 53020925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).