7-ethoxy-3-methylsulfinyl-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide

C28H28N2O3S — CID 53320155

IUPAC7-ethoxy-3-methylsulfinyl-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
SMILESCCOc1ccc2c(C(=O)N[C@@H](CC)c3ccccc3)c(S(C)=O)c(-c3ccccc3)nc2c1
InChIInChI=1S/C28H28N2O3S/c1-4-23(19-12-8-6-9-13-19)30-28(31)25-22-17-16-21(33-5-2)18-24(22)29-26(27(25)34(3)32)20-14-10-7-11-15-20/h6-18,23H,4-5H2,1-3H3,(H,30,31)/t23-,34?/m0/s1
InChIKeyYLWXWCGVLCGQKX-SKBWGGTPSA-N
MW472.61 g/mol
LogP5.92
Rot. Bonds8

About 7-ethoxy-3-methylsulfinyl-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide

7-ethoxy-3-methylsulfinyl-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide (PubChem CID 53320155) has the molecular formula C28H28N2O3S and a molecular weight of 472.61 g/mol. Its IUPAC name is 7-ethoxy-3-methylsulfinyl-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name7-ethoxy-3-methylsulfinyl-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
PubChem CID53320155
Molecular FormulaC28H28N2O3S
Molecular Weight472.61 g/mol
Exact Mass472.18
IUPAC Name7-ethoxy-3-methylsulfinyl-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
SMILESCCOc1ccc2c(C(=O)N[C@@H](CC)c3ccccc3)c(S(C)=O)c(-c3ccccc3)nc2c1
InChIInChI=1S/C28H28N2O3S/c1-4-23(19-12-8-6-9-13-19)30-28(31)25-22-17-16-21(33-5-2)18-24(22)29-26(27(25)34(3)32)20-14-10-7-11-15-20/h6-18,23H,4-5H2,1-3H3,(H,30,31)/t23-,34?/m0/s1
InChIKeyYLWXWCGVLCGQKX-SKBWGGTPSA-N
XLogP5.92
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.61
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-ethoxy-3-methylsulfinyl-2-phenyl-N-[(1S)-1-phenylpropyl]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

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-3-methylsulfinyl-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide?
The IUPAC name of 7-ethoxy-3-methylsulfinyl-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide (CID 53320155) is 7-ethoxy-3-methylsulfinyl-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide.
What is the SMILES notation for 7-ethoxy-3-methylsulfinyl-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide?
The canonical SMILES for 7-ethoxy-3-methylsulfinyl-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide is CCOc1ccc2c(C(=O)N[C@@H](CC)c3ccccc3)c(S(C)=O)c(-c3ccccc3)nc2c1.
What is the InChIKey of 7-ethoxy-3-methylsulfinyl-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide?
The InChIKey is YLWXWCGVLCGQKX-SKBWGGTPSA-N. The full InChI is InChI=1S/C28H28N2O3S/c1-4-23(19-12-8-6-9-13-19)30-28(31)25-22-17-16-21(33-5-2)18-24(22)29-26(27(25)34(3)32)20-14-10-7-11-15-20/h6-18,23H,4-5H2,1-3H3,(H,30,31)/t23-,34?/m0/s1.
What are the key properties of 7-ethoxy-3-methylsulfinyl-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide?
7-ethoxy-3-methylsulfinyl-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide has a molecular weight of 472.61 g/mol, XLogP of 5.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-3-methylsulfinyl-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide is sourced from PubChem (CID 53320155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).