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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Related Compounds

1-(4-(Benzylamino)-5,6,7,8-Tetrahydropyrido[2,3-D]Pyrimidin-2-Yl)-2-Methyl-1H-Indole-4-Carboxamide
CID 122685543
Tzb-30878
CID 11430418
4-Butyl-N-[2-(4-ethyl-piperazin-1-yl)-4-methyl-quinolin-6-yl]-benzamide
CID 3410248
N-[4-methyl-2-(4-morpholinyl)-6-quinolinyl]cyclohexanecarboxamide
CID 5067281
2-(4-methylpiperazin-1-yl)-5H-benzo(c)(1,5)naphthyridin-6-one
CID 9796149
Bms-566419
CID 9913339
N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide
CID 10448986
(2E)-3-(3-Chlorophenyl)-N-[2-(4-ethylpiperazin-1-YL)-4-methylquinolin-6-YL]prop-2-enamide
CID 15987648
17-Fluoro-21-methyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15(20),16,18-heptaen-14-one
CID 56967986
17-Amino-21-methyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15(20),16,18-heptaen-14-one
CID 56968045
2-fluoro-N-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]benzamide
CID 11419978
4-fluoro-N-[2-[4-[6-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethyl]benzamide
CID 11741442

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).