4-(7-fluoroquinolin-2-yl)-N,N-dimethylpiperazine-1-carboxamide

C16H19FN4O — CID 71871451

IUPAC4-(7-fluoroquinolin-2-yl)-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(c2ccc3ccc(F)cc3n2)CC1
InChIInChI=1S/C16H19FN4O/c1-19(2)16(22)21-9-7-20(8-10-21)15-6-4-12-3-5-13(17)11-14(12)18-15/h3-6,11H,7-10H2,1-2H3
InChIKeyQVDILHYBWBLSHB-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.18
Rot. Bonds1

About 4-(7-fluoroquinolin-2-yl)-N,N-dimethylpiperazine-1-carboxamide

4-(7-fluoroquinolin-2-yl)-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 71871451) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is 4-(7-fluoroquinolin-2-yl)-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(7-fluoroquinolin-2-yl)-N,N-dimethylpiperazine-1-carboxamide
PubChem CID71871451
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name4-(7-fluoroquinolin-2-yl)-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(c2ccc3ccc(F)cc3n2)CC1
InChIInChI=1S/C16H19FN4O/c1-19(2)16(22)21-9-7-20(8-10-21)15-6-4-12-3-5-13(17)11-14(12)18-15/h3-6,11H,7-10H2,1-2H3
InChIKeyQVDILHYBWBLSHB-UHFFFAOYSA-N
XLogP2.18
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(7-fluoroquinolin-2-yl)-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-(7-fluoroquinolin-2-yl)-N,N-dimethylpiperazine-1-carboxamide (CID 71871451) is 4-(7-fluoroquinolin-2-yl)-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(7-fluoroquinolin-2-yl)-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(7-fluoroquinolin-2-yl)-N,N-dimethylpiperazine-1-carboxamide is CN(C)C(=O)N1CCN(c2ccc3ccc(F)cc3n2)CC1.
What is the InChIKey of 4-(7-fluoroquinolin-2-yl)-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is QVDILHYBWBLSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-19(2)16(22)21-9-7-20(8-10-21)15-6-4-12-3-5-13(17)11-14(12)18-15/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 4-(7-fluoroquinolin-2-yl)-N,N-dimethylpiperazine-1-carboxamide?
4-(7-fluoroquinolin-2-yl)-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 302.35 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-fluoroquinolin-2-yl)-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 71871451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).