2-fluoro-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide

C22H23FN4O — CID 15987876

IUPAC2-fluoro-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide
SMILESCc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)c3ccccc3F)cc12
InChIInChI=1S/C22H23FN4O/c1-15-13-21(27-11-9-26(2)10-12-27)25-20-8-7-16(14-18(15)20)24-22(28)17-5-3-4-6-19(17)23/h3-8,13-14H,9-12H2,1-2H3,(H,24,28)
InChIKeyJRBRAHPRSHDEIF-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.69
Rot. Bonds3

About 2-fluoro-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide

2-fluoro-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide (PubChem CID 15987876) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-fluoro-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide
PubChem CID15987876
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name2-fluoro-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide
SMILESCc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)c3ccccc3F)cc12
InChIInChI=1S/C22H23FN4O/c1-15-13-21(27-11-9-26(2)10-12-27)25-20-8-7-16(14-18(15)20)24-22(28)17-5-3-4-6-19(17)23/h3-8,13-14H,9-12H2,1-2H3,(H,24,28)
InChIKeyJRBRAHPRSHDEIF-UHFFFAOYSA-N
XLogP3.69
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide?
The IUPAC name of 2-fluoro-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide (CID 15987876) is 2-fluoro-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide is Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)c3ccccc3F)cc12.
What is the InChIKey of 2-fluoro-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide?
The InChIKey is JRBRAHPRSHDEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-15-13-21(27-11-9-26(2)10-12-27)25-20-8-7-16(14-18(15)20)24-22(28)17-5-3-4-6-19(17)23/h3-8,13-14H,9-12H2,1-2H3,(H,24,28).
What are the key properties of 2-fluoro-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide?
2-fluoro-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide has a molecular weight of 378.45 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide is sourced from PubChem (CID 15987876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).