N-(4-fluorophenyl)-N'-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]butanediamide

C26H29FN4O2 — CID 15995206

IUPACN-(4-fluorophenyl)-N'-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]butanediamide
SMILESCc1cc(N2CCC(C)CC2)nc2ccc(NC(=O)CCC(=O)Nc3ccc(F)cc3)cc12
InChIInChI=1S/C26H29FN4O2/c1-17-11-13-31(14-12-17)24-15-18(2)22-16-21(7-8-23(22)30-24)29-26(33)10-9-25(32)28-20-5-3-19(27)4-6-20/h3-8,15-17H,9-14H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyFMVHIPVBYLUJRH-UHFFFAOYSA-N
MW448.54 g/mol
LogP5.28
Rot. Bonds6

About N-(4-fluorophenyl)-N'-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]butanediamide

N-(4-fluorophenyl)-N'-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]butanediamide (PubChem CID 15995206) has the molecular formula C26H29FN4O2 and a molecular weight of 448.54 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N'-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]butanediamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N'-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]butanediamide
PubChem CID15995206
Molecular FormulaC26H29FN4O2
Molecular Weight448.54 g/mol
Exact Mass448.23
IUPAC NameN-(4-fluorophenyl)-N'-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]butanediamide
SMILESCc1cc(N2CCC(C)CC2)nc2ccc(NC(=O)CCC(=O)Nc3ccc(F)cc3)cc12
InChIInChI=1S/C26H29FN4O2/c1-17-11-13-31(14-12-17)24-15-18(2)22-16-21(7-8-23(22)30-24)29-26(33)10-9-25(32)28-20-5-3-19(27)4-6-20/h3-8,15-17H,9-14H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyFMVHIPVBYLUJRH-UHFFFAOYSA-N
XLogP5.28
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.54
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-fluorophenyl)-N'-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]butanediamide 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

N'-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]-N-(4-fluorophenyl)butanediamide
CID 22427809
N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]-4-oxo-4-[4-(trideuteriomethyl)piperazin-1-yl]butanamide
CID 169443729
N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-(3-methylpiperidin-1-yl)-4-oxobutanamide
CID 3237399
4-methoxy-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]benzamide
CID 15987844
buta-1,2,3-triene;N-[3-(diethylamino)propyl]-N'-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]butanediamide;penta-1,2,3,4-tetraene
CID 159776902
2-methoxy-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]benzamide
CID 15987836
N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-4-[(3S)-3-methylpiperidin-1-yl]-4-oxobutanamide
CID 92655611
4-ethoxy-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]benzamide
CID 122174582
N-(4-ethoxyphenyl)-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide
CID 22427017
N'-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]-N-(3-methoxyphenyl)butanediamide
CID 22427815
2,4-dimethoxy-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]benzamide
CID 46504665
N'-(4-bromo-2-methylphenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]butanediamide
CID 22427817

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N'-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]butanediamide?
The IUPAC name of N-(4-fluorophenyl)-N'-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]butanediamide (CID 15995206) is N-(4-fluorophenyl)-N'-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]butanediamide.
What is the SMILES notation for N-(4-fluorophenyl)-N'-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]butanediamide?
The canonical SMILES for N-(4-fluorophenyl)-N'-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]butanediamide is Cc1cc(N2CCC(C)CC2)nc2ccc(NC(=O)CCC(=O)Nc3ccc(F)cc3)cc12.
What is the InChIKey of N-(4-fluorophenyl)-N'-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]butanediamide?
The InChIKey is FMVHIPVBYLUJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O2/c1-17-11-13-31(14-12-17)24-15-18(2)22-16-21(7-8-23(22)30-24)29-26(33)10-9-25(32)28-20-5-3-19(27)4-6-20/h3-8,15-17H,9-14H2,1-2H3,(H,28,32)(H,29,33).
What are the key properties of N-(4-fluorophenyl)-N'-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]butanediamide?
N-(4-fluorophenyl)-N'-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]butanediamide has a molecular weight of 448.54 g/mol, XLogP of 5.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N'-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]butanediamide is sourced from PubChem (CID 15995206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).