6-fluoro-2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-4-carboxamide

C23H25FN4O — CID 108802554

IUPAC6-fluoro-2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)c2cc(F)ccc2n1
InChIInChI=1S/C23H25FN4O/c1-16-13-21(20-14-18(24)5-8-22(20)25-16)23(29)26-19-6-3-17(4-7-19)15-28-11-9-27(2)10-12-28/h3-8,13-14H,9-12,15H2,1-2H3,(H,26,29)
InChIKeyJORZEGKTKWQOMW-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.68
Rot. Bonds4

About 6-fluoro-2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-4-carboxamide

6-fluoro-2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-4-carboxamide (PubChem CID 108802554) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is 6-fluoro-2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-4-carboxamide
PubChem CID108802554
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC Name6-fluoro-2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)c2cc(F)ccc2n1
InChIInChI=1S/C23H25FN4O/c1-16-13-21(20-14-18(24)5-8-22(20)25-16)23(29)26-19-6-3-17(4-7-19)15-28-11-9-27(2)10-12-28/h3-8,13-14H,9-12,15H2,1-2H3,(H,26,29)
InChIKeyJORZEGKTKWQOMW-UHFFFAOYSA-N
XLogP3.68
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-fluoro-2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-4-carboxamide 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

2,5-difluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
CID 108743754
6-fluoro-2-methyl-N-(4-morpholin-4-ylphenyl)quinoline-4-carboxamide
CID 108802559
6-fluoro-2-methyl-N-(4-piperidin-1-ylsulfonylphenyl)quinoline-4-carboxamide
CID 108802533
3-[[4-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]benzoyl]amino]propanoic acid
CID 108802578
6-fluoro-2-methyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42750288
5-bromo-2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]benzoic acid
CID 108789645
6-fluoro-N-(3-hydroxyphenyl)-2-methylquinoline-4-carboxamide
CID 108789542
butyl 4-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]benzoate
CID 108802532
dimethyl 5-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]benzene-1,3-dicarboxylate
CID 4732272
2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]-5-iodobenzoic acid
CID 108789589
6-fluoro-2-methyl-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 4732250
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-2-carboxamide
CID 55663087

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-4-carboxamide?
The IUPAC name of 6-fluoro-2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-4-carboxamide (CID 108802554) is 6-fluoro-2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-4-carboxamide.
What is the SMILES notation for 6-fluoro-2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-4-carboxamide?
The canonical SMILES for 6-fluoro-2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-4-carboxamide is Cc1cc(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)c2cc(F)ccc2n1.
What is the InChIKey of 6-fluoro-2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-4-carboxamide?
The InChIKey is JORZEGKTKWQOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-16-13-21(20-14-18(24)5-8-22(20)25-16)23(29)26-19-6-3-17(4-7-19)15-28-11-9-27(2)10-12-28/h3-8,13-14H,9-12,15H2,1-2H3,(H,26,29).
What are the key properties of 6-fluoro-2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-4-carboxamide?
6-fluoro-2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-4-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 108802554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).