methyl N-[2-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-6-fluorophenyl]carbamate

C29H28F2N4O2 — CID 140837125

IUPACmethyl N-[2-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-6-fluorophenyl]carbamate
SMILESCOC(=O)Nc1c(F)cccc1-c1ccc2ncc(-c3cc(C)cc(F)c3)c(N3CCC(N)CC3)c2c1
InChIInChI=1S/C29H28F2N4O2/c1-17-12-19(14-20(30)13-17)24-16-33-26-7-6-18(15-23(26)28(24)35-10-8-21(32)9-11-35)22-4-3-5-25(31)27(22)34-29(36)37-2/h3-7,12-16,21H,8-11,32H2,1-2H3,(H,34,36)
InChIKeyOHAFCBPAPILSAD-UHFFFAOYSA-N
MW502.57 g/mol
LogP6.26
Rot. Bonds4

About methyl N-[2-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-6-fluorophenyl]carbamate

methyl N-[2-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-6-fluorophenyl]carbamate (PubChem CID 140837125) has the molecular formula C29H28F2N4O2 and a molecular weight of 502.57 g/mol. Its IUPAC name is methyl N-[2-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-6-fluorophenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-6-fluorophenyl]carbamate
PubChem CID140837125
Molecular FormulaC29H28F2N4O2
Molecular Weight502.57 g/mol
Exact Mass502.22
IUPAC Namemethyl N-[2-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-6-fluorophenyl]carbamate
SMILESCOC(=O)Nc1c(F)cccc1-c1ccc2ncc(-c3cc(C)cc(F)c3)c(N3CCC(N)CC3)c2c1
InChIInChI=1S/C29H28F2N4O2/c1-17-12-19(14-20(30)13-17)24-16-33-26-7-6-18(15-23(26)28(24)35-10-8-21(32)9-11-35)22-4-3-5-25(31)27(22)34-29(36)37-2/h3-7,12-16,21H,8-11,32H2,1-2H3,(H,34,36)
InChIKeyOHAFCBPAPILSAD-UHFFFAOYSA-N
XLogP6.26
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.57
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl N-[2-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-6-fluorophenyl]carbamate 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 methyl N-[2-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-6-fluorophenyl]carbamate?
The IUPAC name of methyl N-[2-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-6-fluorophenyl]carbamate (CID 140837125) is methyl N-[2-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-6-fluorophenyl]carbamate.
What is the SMILES notation for methyl N-[2-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-6-fluorophenyl]carbamate?
The canonical SMILES for methyl N-[2-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-6-fluorophenyl]carbamate is COC(=O)Nc1c(F)cccc1-c1ccc2ncc(-c3cc(C)cc(F)c3)c(N3CCC(N)CC3)c2c1.
What is the InChIKey of methyl N-[2-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-6-fluorophenyl]carbamate?
The InChIKey is OHAFCBPAPILSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F2N4O2/c1-17-12-19(14-20(30)13-17)24-16-33-26-7-6-18(15-23(26)28(24)35-10-8-21(32)9-11-35)22-4-3-5-25(31)27(22)34-29(36)37-2/h3-7,12-16,21H,8-11,32H2,1-2H3,(H,34,36).
What are the key properties of methyl N-[2-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-6-fluorophenyl]carbamate?
methyl N-[2-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-6-fluorophenyl]carbamate has a molecular weight of 502.57 g/mol, XLogP of 6.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-6-fluorophenyl]carbamate is sourced from PubChem (CID 140837125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).