Skip to content

8-methoxy-3-methyl-N-[(2S)-3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide

C29H25F4N3O4 — CID 156872774

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC8-methoxy-3-methyl-N-[(2S)-3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide
SMILESCOc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3C)C(F)(F)F)cc2cc(C)cnc12
InChIInChI=1S/C29H25F4N3O4/c1-15-8-18-9-19(10-22(39-3)24(18)34-12-15)27(37)35-14-28(38,29(31,32)33)23-11-21-16(2)13-40-26(21)25(36-23)17-4-6-20(30)7-5-17/h4-12,16,38H,13-14H2,1-3H3,(H,35,37)/t16?,28-/m0/s1
InChIKeyQMOAVCLYZIMJKX-HJLWYHJMSA-N
MW555.53 g/mol
LogP5.43
Rot. Bonds6

About 8-methoxy-3-methyl-N-[(2S)-3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide

8-methoxy-3-methyl-N-[(2S)-3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide (PubChem CID 156872774) has the molecular formula C29H25F4N3O4 and a molecular weight of 555.53 g/mol. Its IUPAC name is 8-methoxy-3-methyl-N-[(2S)-3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide.

Molecular Properties

Compound Name8-methoxy-3-methyl-N-[(2S)-3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide
PubChem CID156872774
Molecular FormulaC29H25F4N3O4
Molecular Weight555.53 g/mol
Exact Mass555.18
IUPAC Name8-methoxy-3-methyl-N-[(2S)-3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide
SMILESCOc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3C)C(F)(F)F)cc2cc(C)cnc12
InChIInChI=1S/C29H25F4N3O4/c1-15-8-18-9-19(10-22(39-3)24(18)34-12-15)27(37)35-14-28(38,29(31,32)33)23-11-21-16(2)13-40-26(21)25(36-23)17-4-6-20(30)7-5-17/h4-12,16,38H,13-14H2,1-3H3,(H,35,37)/t16?,28-/m0/s1
InChIKeyQMOAVCLYZIMJKX-HJLWYHJMSA-N
XLogP5.43
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.53
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-methoxy-3-methyl-N-[(2S)-3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-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 8-methoxy-3-methyl-N-[(2S)-3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide?
The IUPAC name of 8-methoxy-3-methyl-N-[(2S)-3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide (CID 156872774) is 8-methoxy-3-methyl-N-[(2S)-3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide.
What is the SMILES notation for 8-methoxy-3-methyl-N-[(2S)-3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide?
The canonical SMILES for 8-methoxy-3-methyl-N-[(2S)-3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide is COc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3C)C(F)(F)F)cc2cc(C)cnc12.
What is the InChIKey of 8-methoxy-3-methyl-N-[(2S)-3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide?
The InChIKey is QMOAVCLYZIMJKX-HJLWYHJMSA-N. The full InChI is InChI=1S/C29H25F4N3O4/c1-15-8-18-9-19(10-22(39-3)24(18)34-12-15)27(37)35-14-28(38,29(31,32)33)23-11-21-16(2)13-40-26(21)25(36-23)17-4-6-20(30)7-5-17/h4-12,16,38H,13-14H2,1-3H3,(H,35,37)/t16?,28-/m0/s1.
What are the key properties of 8-methoxy-3-methyl-N-[(2S)-3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide?
8-methoxy-3-methyl-N-[(2S)-3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide has a molecular weight of 555.53 g/mol, XLogP of 5.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-methyl-N-[(2S)-3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide is sourced from PubChem (CID 156872774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.