6-fluoro-2-methyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide

C18H22FN3O — CID 42750288

IUPAC6-fluoro-2-methyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCCN2CCCCC2)c2cc(F)ccc2n1
InChIInChI=1S/C18H22FN3O/c1-13-11-16(15-12-14(19)5-6-17(15)21-13)18(23)20-7-10-22-8-3-2-4-9-22/h5-6,11-12H,2-4,7-10H2,1H3,(H,20,23)
InChIKeyXLBISTKERVMVFD-UHFFFAOYSA-N
MW315.39 g/mol
LogP2.90
Rot. Bonds4

About 6-fluoro-2-methyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide

6-fluoro-2-methyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide (PubChem CID 42750288) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is 6-fluoro-2-methyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-2-methyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
PubChem CID42750288
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name6-fluoro-2-methyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCCN2CCCCC2)c2cc(F)ccc2n1
InChIInChI=1S/C18H22FN3O/c1-13-11-16(15-12-14(19)5-6-17(15)21-13)18(23)20-7-10-22-8-3-2-4-9-22/h5-6,11-12H,2-4,7-10H2,1H3,(H,20,23)
InChIKeyXLBISTKERVMVFD-UHFFFAOYSA-N
XLogP2.90
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(azepan-1-yl)ethyl]-2-methylquinoline-4-carboxamide
CID 46291441
2,7-dimethyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 47000437
6-bromo-2-methyl-N-(2-piperazin-1-ylethyl)quinoline-4-carboxamide
CID 119445544
azepan-1-yl-(6-fluoro-2-methylquinolin-4-yl)methanone
CID 4732287
2,6,8-trimethyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 46291561
6-fluoro-N-(2-hydroxypropyl)-2-methylquinoline-4-carboxamide
CID 110489253
2-(furan-2-yl)-6-methyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 42749836
2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4-carboxamide
CID 166181784
6-fluoro-N-(2-morpholin-4-ylethyl)-2-(3-morpholin-4-ylpropylamino)quinoline-4-carboxamide
CID 162651076
2-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42749525
6-methyl-N-(2-piperidin-1-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 42659166
6-fluoro-2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-4-carboxamide
CID 108802554

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide?
The IUPAC name of 6-fluoro-2-methyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide (CID 42750288) is 6-fluoro-2-methyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide.
What is the SMILES notation for 6-fluoro-2-methyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide?
The canonical SMILES for 6-fluoro-2-methyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide is Cc1cc(C(=O)NCCN2CCCCC2)c2cc(F)ccc2n1.
What is the InChIKey of 6-fluoro-2-methyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide?
The InChIKey is XLBISTKERVMVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-13-11-16(15-12-14(19)5-6-17(15)21-13)18(23)20-7-10-22-8-3-2-4-9-22/h5-6,11-12H,2-4,7-10H2,1H3,(H,20,23).
What are the key properties of 6-fluoro-2-methyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide?
6-fluoro-2-methyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide has a molecular weight of 315.39 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 42750288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).