N-[(2S)-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-8-methylquinoline-6-carboxamide

C28H23F4N3O3 — CID 156809852

IUPACN-[(2S)-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-8-methylquinoline-6-carboxamide
SMILESCc1cc(C(=O)NC[C@](C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@H]3C(F)(F)F)cc2cccnc12
InChIInChI=1S/C28H23F4N3O3/c1-15-10-18(11-17-4-3-9-33-23(15)17)26(36)34-14-27(2,37)22-12-20-21(28(30,31)32)13-38-25(20)24(35-22)16-5-7-19(29)8-6-16/h3-12,21,37H,13-14H2,1-2H3,(H,34,36)/t21-,27+/m1/s1
InChIKeyRFUPVXUSBGBGIO-ZBLYBZFDSA-N
MW525.50 g/mol
LogP5.42
Rot. Bonds5

About N-[(2S)-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-8-methylquinoline-6-carboxamide

N-[(2S)-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-8-methylquinoline-6-carboxamide (PubChem CID 156809852) has the molecular formula C28H23F4N3O3 and a molecular weight of 525.50 g/mol. Its IUPAC name is N-[(2S)-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-8-methylquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-8-methylquinoline-6-carboxamide
PubChem CID156809852
Molecular FormulaC28H23F4N3O3
Molecular Weight525.50 g/mol
Exact Mass525.17
IUPAC NameN-[(2S)-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-8-methylquinoline-6-carboxamide
SMILESCc1cc(C(=O)NC[C@](C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@H]3C(F)(F)F)cc2cccnc12
InChIInChI=1S/C28H23F4N3O3/c1-15-10-18(11-17-4-3-9-33-23(15)17)26(36)34-14-27(2,37)22-12-20-21(28(30,31)32)13-38-25(20)24(35-22)16-5-7-19(29)8-6-16/h3-12,21,37H,13-14H2,1-2H3,(H,34,36)/t21-,27+/m1/s1
InChIKeyRFUPVXUSBGBGIO-ZBLYBZFDSA-N
XLogP5.42
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.50
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-8-methylquinoline-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-8-methylquinoline-6-carboxamide?
The IUPAC name of N-[(2S)-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-8-methylquinoline-6-carboxamide (CID 156809852) is N-[(2S)-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-8-methylquinoline-6-carboxamide.
What is the SMILES notation for N-[(2S)-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-8-methylquinoline-6-carboxamide?
The canonical SMILES for N-[(2S)-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-8-methylquinoline-6-carboxamide is Cc1cc(C(=O)NC[C@](C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@H]3C(F)(F)F)cc2cccnc12.
What is the InChIKey of N-[(2S)-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-8-methylquinoline-6-carboxamide?
The InChIKey is RFUPVXUSBGBGIO-ZBLYBZFDSA-N. The full InChI is InChI=1S/C28H23F4N3O3/c1-15-10-18(11-17-4-3-9-33-23(15)17)26(36)34-14-27(2,37)22-12-20-21(28(30,31)32)13-38-25(20)24(35-22)16-5-7-19(29)8-6-16/h3-12,21,37H,13-14H2,1-2H3,(H,34,36)/t21-,27+/m1/s1.
What are the key properties of N-[(2S)-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-8-methylquinoline-6-carboxamide?
N-[(2S)-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-8-methylquinoline-6-carboxamide has a molecular weight of 525.50 g/mol, XLogP of 5.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-8-methylquinoline-6-carboxamide is sourced from PubChem (CID 156809852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).