N-[1-[(6-fluoroquinolin-8-yl)methyl]piperidin-4-yl]-5-methylfuran-2-carboxamide

C21H22FN3O2 — CID 49446677

IUPACN-[1-[(6-fluoroquinolin-8-yl)methyl]piperidin-4-yl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(Cc3cc(F)cc4cccnc34)CC2)o1
InChIInChI=1S/C21H22FN3O2/c1-14-4-5-19(27-14)21(26)24-18-6-9-25(10-7-18)13-16-12-17(22)11-15-3-2-8-23-20(15)16/h2-5,8,11-12,18H,6-7,9-10,13H2,1H3,(H,24,26)
InChIKeyPBYWSXPIYJSUHU-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.67
Rot. Bonds4

About N-[1-[(6-fluoroquinolin-8-yl)methyl]piperidin-4-yl]-5-methylfuran-2-carboxamide

N-[1-[(6-fluoroquinolin-8-yl)methyl]piperidin-4-yl]-5-methylfuran-2-carboxamide (PubChem CID 49446677) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is N-[1-[(6-fluoroquinolin-8-yl)methyl]piperidin-4-yl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(6-fluoroquinolin-8-yl)methyl]piperidin-4-yl]-5-methylfuran-2-carboxamide
PubChem CID49446677
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC NameN-[1-[(6-fluoroquinolin-8-yl)methyl]piperidin-4-yl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(Cc3cc(F)cc4cccnc34)CC2)o1
InChIInChI=1S/C21H22FN3O2/c1-14-4-5-19(27-14)21(26)24-18-6-9-25(10-7-18)13-16-12-17(22)11-15-3-2-8-23-20(15)16/h2-5,8,11-12,18H,6-7,9-10,13H2,1H3,(H,24,26)
InChIKeyPBYWSXPIYJSUHU-UHFFFAOYSA-N
XLogP3.67
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[(6-fluoroquinolin-8-yl)methyl]piperidin-4-yl]-5-methylfuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(6-fluoroquinolin-8-yl)methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55923455
5-methyl-N-[1-[2-(N-methylanilino)-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide
CID 49447477
1-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]-2-methoxyethanone
CID 56813387
2-[1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115648296
1-[(6-fluoroquinolin-8-yl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102784462
5-methyl-N-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide
CID 49447313
N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide
CID 49447371
7-fluoro-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide
CID 11509431
5-methyl-N-(1-methylsulfonylpiperidin-4-yl)furan-2-carboxamide
CID 47157349
N-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide
CID 49447098
7-fluoro-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide
CID 11973799
6-fluoro-8-[[4-(1H-pyrazol-4-yl)piperidin-1-yl]methyl]quinoline
CID 86773477

Frequently Asked Questions

What is the IUPAC name of N-[1-[(6-fluoroquinolin-8-yl)methyl]piperidin-4-yl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[1-[(6-fluoroquinolin-8-yl)methyl]piperidin-4-yl]-5-methylfuran-2-carboxamide (CID 49446677) is N-[1-[(6-fluoroquinolin-8-yl)methyl]piperidin-4-yl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[1-[(6-fluoroquinolin-8-yl)methyl]piperidin-4-yl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[1-[(6-fluoroquinolin-8-yl)methyl]piperidin-4-yl]-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)NC2CCN(Cc3cc(F)cc4cccnc34)CC2)o1.
What is the InChIKey of N-[1-[(6-fluoroquinolin-8-yl)methyl]piperidin-4-yl]-5-methylfuran-2-carboxamide?
The InChIKey is PBYWSXPIYJSUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-14-4-5-19(27-14)21(26)24-18-6-9-25(10-7-18)13-16-12-17(22)11-15-3-2-8-23-20(15)16/h2-5,8,11-12,18H,6-7,9-10,13H2,1H3,(H,24,26).
What are the key properties of N-[1-[(6-fluoroquinolin-8-yl)methyl]piperidin-4-yl]-5-methylfuran-2-carboxamide?
N-[1-[(6-fluoroquinolin-8-yl)methyl]piperidin-4-yl]-5-methylfuran-2-carboxamide has a molecular weight of 367.42 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(6-fluoroquinolin-8-yl)methyl]piperidin-4-yl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 49446677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).