N-[[5,8-dimethoxy-2-(2-methoxyphenyl)quinolin-3-yl]methyl]-2-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C32H33FN2O5 — CID 98150790

IUPACN-[[5,8-dimethoxy-2-(2-methoxyphenyl)quinolin-3-yl]methyl]-2-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCOc1ccccc1-c1nc2c(OC)ccc(OC)c2cc1CN(C[C@@H]1CCCO1)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C32H33FN2O5/c1-37-27-9-5-4-8-25(27)31-22(18-26-28(38-2)14-15-29(39-3)32(26)34-31)19-35(20-24-7-6-16-40-24)30(36)17-21-10-12-23(33)13-11-21/h4-5,8-15,18,24H,6-7,16-17,19-20H2,1-3H3/t24-/m0/s1
InChIKeyJNQAHLCJMJEWHK-DEOSSOPVSA-N
MW544.62 g/mol
LogP5.82
Rot. Bonds10

About N-[[5,8-dimethoxy-2-(2-methoxyphenyl)quinolin-3-yl]methyl]-2-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide

N-[[5,8-dimethoxy-2-(2-methoxyphenyl)quinolin-3-yl]methyl]-2-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 98150790) has the molecular formula C32H33FN2O5 and a molecular weight of 544.62 g/mol. Its IUPAC name is N-[[5,8-dimethoxy-2-(2-methoxyphenyl)quinolin-3-yl]methyl]-2-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5,8-dimethoxy-2-(2-methoxyphenyl)quinolin-3-yl]methyl]-2-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID98150790
Molecular FormulaC32H33FN2O5
Molecular Weight544.62 g/mol
Exact Mass544.24
IUPAC NameN-[[5,8-dimethoxy-2-(2-methoxyphenyl)quinolin-3-yl]methyl]-2-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCOc1ccccc1-c1nc2c(OC)ccc(OC)c2cc1CN(C[C@@H]1CCCO1)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C32H33FN2O5/c1-37-27-9-5-4-8-25(27)31-22(18-26-28(38-2)14-15-29(39-3)32(26)34-31)19-35(20-24-7-6-16-40-24)30(36)17-21-10-12-23(33)13-11-21/h4-5,8-15,18,24H,6-7,16-17,19-20H2,1-3H3/t24-/m0/s1
InChIKeyJNQAHLCJMJEWHK-DEOSSOPVSA-N
XLogP5.82
TPSA70.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.62
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[5,8-dimethoxy-2-(2-methoxyphenyl)quinolin-3-yl]methyl]-2-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide 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 N-[[5,8-dimethoxy-2-(2-methoxyphenyl)quinolin-3-yl]methyl]-2-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of N-[[5,8-dimethoxy-2-(2-methoxyphenyl)quinolin-3-yl]methyl]-2-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 98150790) is N-[[5,8-dimethoxy-2-(2-methoxyphenyl)quinolin-3-yl]methyl]-2-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5,8-dimethoxy-2-(2-methoxyphenyl)quinolin-3-yl]methyl]-2-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5,8-dimethoxy-2-(2-methoxyphenyl)quinolin-3-yl]methyl]-2-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide is COc1ccccc1-c1nc2c(OC)ccc(OC)c2cc1CN(C[C@@H]1CCCO1)C(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-[[5,8-dimethoxy-2-(2-methoxyphenyl)quinolin-3-yl]methyl]-2-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is JNQAHLCJMJEWHK-DEOSSOPVSA-N. The full InChI is InChI=1S/C32H33FN2O5/c1-37-27-9-5-4-8-25(27)31-22(18-26-28(38-2)14-15-29(39-3)32(26)34-31)19-35(20-24-7-6-16-40-24)30(36)17-21-10-12-23(33)13-11-21/h4-5,8-15,18,24H,6-7,16-17,19-20H2,1-3H3/t24-/m0/s1.
What are the key properties of N-[[5,8-dimethoxy-2-(2-methoxyphenyl)quinolin-3-yl]methyl]-2-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
N-[[5,8-dimethoxy-2-(2-methoxyphenyl)quinolin-3-yl]methyl]-2-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 544.62 g/mol, XLogP of 5.82, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5,8-dimethoxy-2-(2-methoxyphenyl)quinolin-3-yl]methyl]-2-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 98150790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).