6-[1-[2-[7-(3,4-difluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethylamino]prop-1-enyl]-N-methylquinolin-8-amine

C28H26F2N4O — CID 156718042

IUPAC6-[1-[2-[7-(3,4-difluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethylamino]prop-1-enyl]-N-methylquinolin-8-amine
SMILESCC=C(NCCc1cc2c(c(-c3ccc(F)c(F)c3)n1)OCC2)c1cc(NC)c2ncccc2c1
InChIInChI=1S/C28H26F2N4O/c1-3-24(20-13-17-5-4-10-33-26(17)25(16-20)31-2)32-11-8-21-14-19-9-12-35-28(19)27(34-21)18-6-7-22(29)23(30)15-18/h3-7,10,13-16,31-32H,8-9,11-12H2,1-2H3
InChIKeyNZQOSFREWLDNKI-UHFFFAOYSA-N
MW472.54 g/mol
LogP5.74
Rot. Bonds7

About 6-[1-[2-[7-(3,4-difluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethylamino]prop-1-enyl]-N-methylquinolin-8-amine

6-[1-[2-[7-(3,4-difluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethylamino]prop-1-enyl]-N-methylquinolin-8-amine (PubChem CID 156718042) has the molecular formula C28H26F2N4O and a molecular weight of 472.54 g/mol. Its IUPAC name is 6-[1-[2-[7-(3,4-difluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethylamino]prop-1-enyl]-N-methylquinolin-8-amine.

Molecular Properties

Compound Name6-[1-[2-[7-(3,4-difluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethylamino]prop-1-enyl]-N-methylquinolin-8-amine
PubChem CID156718042
Molecular FormulaC28H26F2N4O
Molecular Weight472.54 g/mol
Exact Mass472.21
IUPAC Name6-[1-[2-[7-(3,4-difluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethylamino]prop-1-enyl]-N-methylquinolin-8-amine
SMILESCC=C(NCCc1cc2c(c(-c3ccc(F)c(F)c3)n1)OCC2)c1cc(NC)c2ncccc2c1
InChIInChI=1S/C28H26F2N4O/c1-3-24(20-13-17-5-4-10-33-26(17)25(16-20)31-2)32-11-8-21-14-19-9-12-35-28(19)27(34-21)18-6-7-22(29)23(30)15-18/h3-7,10,13-16,31-32H,8-9,11-12H2,1-2H3
InChIKeyNZQOSFREWLDNKI-UHFFFAOYSA-N
XLogP5.74
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.54
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[2-[7-(3,4-difluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethylamino]prop-1-enyl]-N-methylquinolin-8-amine?
The IUPAC name of 6-[1-[2-[7-(3,4-difluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethylamino]prop-1-enyl]-N-methylquinolin-8-amine (CID 156718042) is 6-[1-[2-[7-(3,4-difluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethylamino]prop-1-enyl]-N-methylquinolin-8-amine.
What is the SMILES notation for 6-[1-[2-[7-(3,4-difluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethylamino]prop-1-enyl]-N-methylquinolin-8-amine?
The canonical SMILES for 6-[1-[2-[7-(3,4-difluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethylamino]prop-1-enyl]-N-methylquinolin-8-amine is CC=C(NCCc1cc2c(c(-c3ccc(F)c(F)c3)n1)OCC2)c1cc(NC)c2ncccc2c1.
What is the InChIKey of 6-[1-[2-[7-(3,4-difluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethylamino]prop-1-enyl]-N-methylquinolin-8-amine?
The InChIKey is NZQOSFREWLDNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F2N4O/c1-3-24(20-13-17-5-4-10-33-26(17)25(16-20)31-2)32-11-8-21-14-19-9-12-35-28(19)27(34-21)18-6-7-22(29)23(30)15-18/h3-7,10,13-16,31-32H,8-9,11-12H2,1-2H3.
What are the key properties of 6-[1-[2-[7-(3,4-difluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethylamino]prop-1-enyl]-N-methylquinolin-8-amine?
6-[1-[2-[7-(3,4-difluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethylamino]prop-1-enyl]-N-methylquinolin-8-amine has a molecular weight of 472.54 g/mol, XLogP of 5.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[2-[7-(3,4-difluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethylamino]prop-1-enyl]-N-methylquinolin-8-amine is sourced from PubChem (CID 156718042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).