N-[[1-(6-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide

C22H22FN3O3 — CID 131938558

IUPACN-[[1-(6-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide
SMILESCc1cc(C(=O)N2CCC(CNC(=O)c3ccoc3)CC2)c2cc(F)ccc2n1
InChIInChI=1S/C22H22FN3O3/c1-14-10-19(18-11-17(23)2-3-20(18)25-14)22(28)26-7-4-15(5-8-26)12-24-21(27)16-6-9-29-13-16/h2-3,6,9-11,13,15H,4-5,7-8,12H2,1H3,(H,24,27)
InChIKeyYUBGFZHSBLLZTH-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.56
Rot. Bonds4

About N-[[1-(6-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide

N-[[1-(6-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide (PubChem CID 131938558) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is N-[[1-(6-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(6-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide
PubChem CID131938558
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC NameN-[[1-(6-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide
SMILESCc1cc(C(=O)N2CCC(CNC(=O)c3ccoc3)CC2)c2cc(F)ccc2n1
InChIInChI=1S/C22H22FN3O3/c1-14-10-19(18-11-17(23)2-3-20(18)25-14)22(28)26-7-4-15(5-8-26)12-24-21(27)16-6-9-29-13-16/h2-3,6,9-11,13,15H,4-5,7-8,12H2,1H3,(H,24,27)
InChIKeyYUBGFZHSBLLZTH-UHFFFAOYSA-N
XLogP3.56
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-(6-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide with MolForge

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Related Compounds

azepan-1-yl-(6-fluoro-2-methylquinolin-4-yl)methanone
CID 4732287
N-[[1-(6-fluoro-2-methylquinolin-4-yl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 131923088
4-[(furan-3-carbonylamino)methyl]-N,N-dimethylpiperidine-1-carboxamide
CID 119103267
4-bromo-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzamide
CID 90521806
methyl 3-(6-fluoro-2-methylquinolin-4-yl)-3-oxopropanoate
CID 82666021
6-fluoro-N'-(4-fluorobenzoyl)-2-methylquinoline-4-carbohydrazide
CID 4732337
N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]furan-3-carboxamide
CID 131900099
6-fluoro-N-(2-hydroxypropyl)-2-methylquinoline-4-carboxamide
CID 110489253
4-fluoro-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide
CID 121108538
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-1,3-benzothiazole-2-carboxamide
CID 71786717
(6-bromo-2-methylquinolin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560432
(4-hydroxypiperidin-1-yl)-(6-methoxy-2-methylquinolin-4-yl)methanone
CID 111459532

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide?
The IUPAC name of N-[[1-(6-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide (CID 131938558) is N-[[1-(6-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide.
What is the SMILES notation for N-[[1-(6-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide?
The canonical SMILES for N-[[1-(6-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide is Cc1cc(C(=O)N2CCC(CNC(=O)c3ccoc3)CC2)c2cc(F)ccc2n1.
What is the InChIKey of N-[[1-(6-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide?
The InChIKey is YUBGFZHSBLLZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-14-10-19(18-11-17(23)2-3-20(18)25-14)22(28)26-7-4-15(5-8-26)12-24-21(27)16-6-9-29-13-16/h2-3,6,9-11,13,15H,4-5,7-8,12H2,1H3,(H,24,27).
What are the key properties of N-[[1-(6-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide?
N-[[1-(6-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide has a molecular weight of 395.43 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide is sourced from PubChem (CID 131938558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).