N-(1-cyclobutylpiperidin-4-yl)-8-fluoro-2-methylquinoline-3-carboxamide

C20H24FN3O — CID 167948096

IUPACN-(1-cyclobutylpiperidin-4-yl)-8-fluoro-2-methylquinoline-3-carboxamide
SMILESCc1nc2c(F)cccc2cc1C(=O)NC1CCN(C2CCC2)CC1
InChIInChI=1S/C20H24FN3O/c1-13-17(12-14-4-2-7-18(21)19(14)22-13)20(25)23-15-8-10-24(11-9-15)16-5-3-6-16/h2,4,7,12,15-16H,3,5-6,8-11H2,1H3,(H,23,25)
InChIKeyIBBAVPOZZUCREO-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.43
Rot. Bonds3

About N-(1-cyclobutylpiperidin-4-yl)-8-fluoro-2-methylquinoline-3-carboxamide

N-(1-cyclobutylpiperidin-4-yl)-8-fluoro-2-methylquinoline-3-carboxamide (PubChem CID 167948096) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is N-(1-cyclobutylpiperidin-4-yl)-8-fluoro-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclobutylpiperidin-4-yl)-8-fluoro-2-methylquinoline-3-carboxamide
PubChem CID167948096
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC NameN-(1-cyclobutylpiperidin-4-yl)-8-fluoro-2-methylquinoline-3-carboxamide
SMILESCc1nc2c(F)cccc2cc1C(=O)NC1CCN(C2CCC2)CC1
InChIInChI=1S/C20H24FN3O/c1-13-17(12-14-4-2-7-18(21)19(14)22-13)20(25)23-15-8-10-24(11-9-15)16-5-3-6-16/h2,4,7,12,15-16H,3,5-6,8-11H2,1H3,(H,23,25)
InChIKeyIBBAVPOZZUCREO-UHFFFAOYSA-N
XLogP3.43
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclopropylpyrrolidin-3-yl)-2,3-difluorobenzamide
CID 62661461
5-amino-N-(1-cyclopentylpiperidin-4-yl)-2-methylbenzamide
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N-(1-cyclopropylpiperidin-4-yl)-2-methylbenzamide
CID 39974888
2-methyl-N-[1-(thian-4-yl)piperidin-4-yl]-1-benzofuran-7-carboxamide
CID 74238215
4-chloro-N-(1-cyclopropylpiperidin-4-yl)-2-fluorobenzamide
CID 46548528
N-(1-tert-butylpiperidin-4-yl)-2,3-difluorobenzamide
CID 62649219
2,3-difluoro-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 62660672
N-(1-cyclopropylpiperidin-4-yl)-3-fluoropyridine-4-carboxamide
CID 115646277
N-(1-cyclopentylpiperidin-4-yl)-3,4-dimethylbenzamide
CID 110752030
N-cyclopropyl-2,3-difluorobenzamide
CID 62648987
1-(1-cyclopropylpiperidin-4-yl)-3-(2,6-difluorophenyl)urea
CID 86986878
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CID 86961456

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylpiperidin-4-yl)-8-fluoro-2-methylquinoline-3-carboxamide?
The IUPAC name of N-(1-cyclobutylpiperidin-4-yl)-8-fluoro-2-methylquinoline-3-carboxamide (CID 167948096) is N-(1-cyclobutylpiperidin-4-yl)-8-fluoro-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-(1-cyclobutylpiperidin-4-yl)-8-fluoro-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-(1-cyclobutylpiperidin-4-yl)-8-fluoro-2-methylquinoline-3-carboxamide is Cc1nc2c(F)cccc2cc1C(=O)NC1CCN(C2CCC2)CC1.
What is the InChIKey of N-(1-cyclobutylpiperidin-4-yl)-8-fluoro-2-methylquinoline-3-carboxamide?
The InChIKey is IBBAVPOZZUCREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c1-13-17(12-14-4-2-7-18(21)19(14)22-13)20(25)23-15-8-10-24(11-9-15)16-5-3-6-16/h2,4,7,12,15-16H,3,5-6,8-11H2,1H3,(H,23,25).
What are the key properties of N-(1-cyclobutylpiperidin-4-yl)-8-fluoro-2-methylquinoline-3-carboxamide?
N-(1-cyclobutylpiperidin-4-yl)-8-fluoro-2-methylquinoline-3-carboxamide has a molecular weight of 341.43 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylpiperidin-4-yl)-8-fluoro-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 167948096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).