3-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-5-chloropyridin-4-amine

C26H25ClFN5 — CID 140837075

IUPAC3-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-5-chloropyridin-4-amine
SMILESCc1cc(F)cc(-c2cnc3ccc(-c4cncc(Cl)c4N)cc3c2N2CCC(N)CC2)c1
InChIInChI=1S/C26H25ClFN5/c1-15-8-17(10-18(28)9-15)22-13-32-24-3-2-16(21-12-31-14-23(27)25(21)30)11-20(24)26(22)33-6-4-19(29)5-7-33/h2-3,8-14,19H,4-7,29H2,1H3,(H2,30,31)
InChIKeyHYFCLKRPHBGGBS-UHFFFAOYSA-N
MW461.97 g/mol
LogP5.57
Rot. Bonds3

About 3-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-5-chloropyridin-4-amine

3-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-5-chloropyridin-4-amine (PubChem CID 140837075) has the molecular formula C26H25ClFN5 and a molecular weight of 461.97 g/mol. Its IUPAC name is 3-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-5-chloropyridin-4-amine.

Molecular Properties

Compound Name3-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-5-chloropyridin-4-amine
PubChem CID140837075
Molecular FormulaC26H25ClFN5
Molecular Weight461.97 g/mol
Exact Mass461.18
IUPAC Name3-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-5-chloropyridin-4-amine
SMILESCc1cc(F)cc(-c2cnc3ccc(-c4cncc(Cl)c4N)cc3c2N2CCC(N)CC2)c1
InChIInChI=1S/C26H25ClFN5/c1-15-8-17(10-18(28)9-15)22-13-32-24-3-2-16(21-12-31-14-23(27)25(21)30)11-20(24)26(22)33-6-4-19(29)5-7-33/h2-3,8-14,19H,4-7,29H2,1H3,(H2,30,31)
InChIKeyHYFCLKRPHBGGBS-UHFFFAOYSA-N
XLogP5.57
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.97
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-5-chloropyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-5-chloropyridin-4-amine?
The IUPAC name of 3-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-5-chloropyridin-4-amine (CID 140837075) is 3-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-5-chloropyridin-4-amine.
What is the SMILES notation for 3-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-5-chloropyridin-4-amine?
The canonical SMILES for 3-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-5-chloropyridin-4-amine is Cc1cc(F)cc(-c2cnc3ccc(-c4cncc(Cl)c4N)cc3c2N2CCC(N)CC2)c1.
What is the InChIKey of 3-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-5-chloropyridin-4-amine?
The InChIKey is HYFCLKRPHBGGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClFN5/c1-15-8-17(10-18(28)9-15)22-13-32-24-3-2-16(21-12-31-14-23(27)25(21)30)11-20(24)26(22)33-6-4-19(29)5-7-33/h2-3,8-14,19H,4-7,29H2,1H3,(H2,30,31).
What are the key properties of 3-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-5-chloropyridin-4-amine?
3-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-5-chloropyridin-4-amine has a molecular weight of 461.97 g/mol, XLogP of 5.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-5-chloropyridin-4-amine is sourced from PubChem (CID 140837075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).