N-(8-fluoroquinolin-3-yl)-4-methylpiperazine-1-carboxamide

C15H17FN4O — CID 155961191

IUPACN-(8-fluoroquinolin-3-yl)-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2cnc3c(F)cccc3c2)CC1
InChIInChI=1S/C15H17FN4O/c1-19-5-7-20(8-6-19)15(21)18-12-9-11-3-2-4-13(16)14(11)17-10-12/h2-4,9-10H,5-8H2,1H3,(H,18,21)
InChIKeyICIYBFPFUKWLAZ-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.15
Rot. Bonds1

About N-(8-fluoroquinolin-3-yl)-4-methylpiperazine-1-carboxamide

N-(8-fluoroquinolin-3-yl)-4-methylpiperazine-1-carboxamide (PubChem CID 155961191) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is N-(8-fluoroquinolin-3-yl)-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(8-fluoroquinolin-3-yl)-4-methylpiperazine-1-carboxamide
PubChem CID155961191
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC NameN-(8-fluoroquinolin-3-yl)-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2cnc3c(F)cccc3c2)CC1
InChIInChI=1S/C15H17FN4O/c1-19-5-7-20(8-6-19)15(21)18-12-9-11-3-2-4-13(16)14(11)17-10-12/h2-4,9-10H,5-8H2,1H3,(H,18,21)
InChIKeyICIYBFPFUKWLAZ-UHFFFAOYSA-N
XLogP2.15
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-4-methylpiperazine-1-carboxamide
CID 21019691
N-(2-chloro-6-fluorophenyl)-4-methylpiperazine-1-carboxamide
CID 108896475
8-fluoroquinoline-3-carboxylic acid;hydrate
CID 90668422
4-methyl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 3370606
8-fluoro-N-(4-methylphenyl)quinoline-3-carboxamide
CID 110489691
N-[1-[(8-fluoroquinolin-3-yl)amino]-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 139020749
4-methyl-N-quinolin-3-ylpiperidine-1-carboxamide
CID 115582764
2-benzyl-3-(1-fluorocyclopropyl)-N-(8-fluoroquinolin-3-yl)-2-methylpropanamide
CID 147294248
N'-(8-fluoroquinolin-3-yl)-N-[2-(1-hydroxycyclopentyl)-2-methylpropyl]oxamide
CID 139020440
N-(3-fluoro-4-methylphenyl)-4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 56922523
N-[3-(aminomethyl)phenyl]-4-methylpiperazine-1-carboxamide
CID 43133032
N-(2-fluoro-6-methylbenzoyl)-4-methylpiperazine-1-carboxamide
CID 138725981

Frequently Asked Questions

What is the IUPAC name of N-(8-fluoroquinolin-3-yl)-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-(8-fluoroquinolin-3-yl)-4-methylpiperazine-1-carboxamide (CID 155961191) is N-(8-fluoroquinolin-3-yl)-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-(8-fluoroquinolin-3-yl)-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-(8-fluoroquinolin-3-yl)-4-methylpiperazine-1-carboxamide is CN1CCN(C(=O)Nc2cnc3c(F)cccc3c2)CC1.
What is the InChIKey of N-(8-fluoroquinolin-3-yl)-4-methylpiperazine-1-carboxamide?
The InChIKey is ICIYBFPFUKWLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-19-5-7-20(8-6-19)15(21)18-12-9-11-3-2-4-13(16)14(11)17-10-12/h2-4,9-10H,5-8H2,1H3,(H,18,21).
What are the key properties of N-(8-fluoroquinolin-3-yl)-4-methylpiperazine-1-carboxamide?
N-(8-fluoroquinolin-3-yl)-4-methylpiperazine-1-carboxamide has a molecular weight of 288.33 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-fluoroquinolin-3-yl)-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 155961191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).