7-ethoxy-6-methoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-N-(1-phenylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide

C39H43F3N4O4 — CID 67383920

IUPAC7-ethoxy-6-methoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-N-(1-phenylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide
SMILESCCOc1cc2nc(-c3cccc(C(F)(F)F)c3)c(CN3CCC(N4CCOCC4)CC3)c(C(=O)NC3(c4ccccc4)CC3)c2cc1OC
InChIInChI=1S/C39H43F3N4O4/c1-3-50-34-24-32-30(23-33(34)48-2)35(37(47)44-38(14-15-38)27-9-5-4-6-10-27)31(36(43-32)26-8-7-11-28(22-26)39(40,41)42)25-45-16-12-29(13-17-45)46-18-20-49-21-19-46/h4-11,22-24,29H,3,12-21,25H2,1-2H3,(H,44,47)
InChIKeyQHGCVMAALHVRAC-UHFFFAOYSA-N
MW688.79 g/mol
LogP7.04
Rot. Bonds10

About 7-ethoxy-6-methoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-N-(1-phenylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide

7-ethoxy-6-methoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-N-(1-phenylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide (PubChem CID 67383920) has the molecular formula C39H43F3N4O4 and a molecular weight of 688.79 g/mol. Its IUPAC name is 7-ethoxy-6-methoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-N-(1-phenylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name7-ethoxy-6-methoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-N-(1-phenylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide
PubChem CID67383920
Molecular FormulaC39H43F3N4O4
Molecular Weight688.79 g/mol
Exact Mass688.32
IUPAC Name7-ethoxy-6-methoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-N-(1-phenylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide
SMILESCCOc1cc2nc(-c3cccc(C(F)(F)F)c3)c(CN3CCC(N4CCOCC4)CC3)c(C(=O)NC3(c4ccccc4)CC3)c2cc1OC
InChIInChI=1S/C39H43F3N4O4/c1-3-50-34-24-32-30(23-33(34)48-2)35(37(47)44-38(14-15-38)27-9-5-4-6-10-27)31(36(43-32)26-8-7-11-28(22-26)39(40,41)42)25-45-16-12-29(13-17-45)46-18-20-49-21-19-46/h4-11,22-24,29H,3,12-21,25H2,1-2H3,(H,44,47)
InChIKeyQHGCVMAALHVRAC-UHFFFAOYSA-N
XLogP7.04
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.79
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-ethoxy-6-methoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-N-(1-phenylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]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-6-methoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-N-(1-phenylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide?
The IUPAC name of 7-ethoxy-6-methoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-N-(1-phenylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide (CID 67383920) is 7-ethoxy-6-methoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-N-(1-phenylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for 7-ethoxy-6-methoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-N-(1-phenylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide?
The canonical SMILES for 7-ethoxy-6-methoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-N-(1-phenylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide is CCOc1cc2nc(-c3cccc(C(F)(F)F)c3)c(CN3CCC(N4CCOCC4)CC3)c(C(=O)NC3(c4ccccc4)CC3)c2cc1OC.
What is the InChIKey of 7-ethoxy-6-methoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-N-(1-phenylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide?
The InChIKey is QHGCVMAALHVRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H43F3N4O4/c1-3-50-34-24-32-30(23-33(34)48-2)35(37(47)44-38(14-15-38)27-9-5-4-6-10-27)31(36(43-32)26-8-7-11-28(22-26)39(40,41)42)25-45-16-12-29(13-17-45)46-18-20-49-21-19-46/h4-11,22-24,29H,3,12-21,25H2,1-2H3,(H,44,47).
What are the key properties of 7-ethoxy-6-methoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-N-(1-phenylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide?
7-ethoxy-6-methoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-N-(1-phenylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide has a molecular weight of 688.79 g/mol, XLogP of 7.04, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-6-methoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-N-(1-phenylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 67383920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).