(7-fluoroquinolin-3-yl)-(4-methylpiperazin-1-yl)methanone

C15H16FN3O — CID 110489748

IUPAC(7-fluoroquinolin-3-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cnc3cc(F)ccc3c2)CC1
InChIInChI=1S/C15H16FN3O/c1-18-4-6-19(7-5-18)15(20)12-8-11-2-3-13(16)9-14(11)17-10-12/h2-3,8-10H,4-7H2,1H3
InChIKeyNDOQGLYPRANPBZ-UHFFFAOYSA-N
MW273.31 g/mol
LogP1.76
Rot. Bonds1

About (7-fluoroquinolin-3-yl)-(4-methylpiperazin-1-yl)methanone

(7-fluoroquinolin-3-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 110489748) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is (7-fluoroquinolin-3-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(7-fluoroquinolin-3-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID110489748
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name(7-fluoroquinolin-3-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cnc3cc(F)ccc3c2)CC1
InChIInChI=1S/C15H16FN3O/c1-18-4-6-19(7-5-18)15(20)12-8-11-2-3-13(16)9-14(11)17-10-12/h2-3,8-10H,4-7H2,1H3
InChIKeyNDOQGLYPRANPBZ-UHFFFAOYSA-N
XLogP1.76
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (7-fluoroquinolin-3-yl)-(4-methylpiperazin-1-yl)methanone 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

(7-fluoroquinolin-3-yl)-(3-methylpiperidin-1-yl)methanone
CID 110489762
7-fluoroquinoline-3-carboxamide
CID 54200639
azetidin-1-yl-(7-methylquinolin-3-yl)methanone
CID 166265226
1-cyclopropyl-2-[4-(6-fluoroquinoline-3-carbonyl)piperazin-1-yl]ethanone
CID 75391181
7-(diethylamino)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinoline-3-carboxamide
CID 169320062
(6-fluoro-1,3-benzoxazol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 10038393
(6-fluoroquinolin-3-yl)-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 126792102
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109154538
2-[4-[7-(4-fluorophenyl)quinoline-3-carbonyl]piperazin-1-yl]-3H-quinazolin-4-one
CID 166688154
N-[(4-fluorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104407
1-[4-(2-chloro-7-fluoroquinoline-3-carbonyl)piperazin-1-yl]ethanone
CID 110299106
(4-methylpiperazin-1-yl)-pyridazin-4-ylmethanone
CID 112702155

Frequently Asked Questions

What is the IUPAC name of (7-fluoroquinolin-3-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (7-fluoroquinolin-3-yl)-(4-methylpiperazin-1-yl)methanone (CID 110489748) is (7-fluoroquinolin-3-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (7-fluoroquinolin-3-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (7-fluoroquinolin-3-yl)-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cnc3cc(F)ccc3c2)CC1.
What is the InChIKey of (7-fluoroquinolin-3-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is NDOQGLYPRANPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-18-4-6-19(7-5-18)15(20)12-8-11-2-3-13(16)9-14(11)17-10-12/h2-3,8-10H,4-7H2,1H3.
What are the key properties of (7-fluoroquinolin-3-yl)-(4-methylpiperazin-1-yl)methanone?
(7-fluoroquinolin-3-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 273.31 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoroquinolin-3-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 110489748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).