2-[[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-3,4-dihydro-2H-pyrano[2,3-f]quinoline

C26H24FN3O — CID 10223484

IUPAC2-[[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-3,4-dihydro-2H-pyrano[2,3-f]quinoline
SMILESFc1ccc2[nH]cc(C3=CCN(CC4CCc5ccc6ncccc6c5O4)CC3)c2c1
InChIInChI=1S/C26H24FN3O/c27-19-5-8-25-22(14-19)23(15-29-25)17-9-12-30(13-10-17)16-20-6-3-18-4-7-24-21(26(18)31-20)2-1-11-28-24/h1-2,4-5,7-9,11,14-15,20,29H,3,6,10,12-13,16H2
InChIKeyBPAWHQIJSTVROE-UHFFFAOYSA-N
MW413.50 g/mol
LogP5.34
Rot. Bonds3

About 2-[[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-3,4-dihydro-2H-pyrano[2,3-f]quinoline

2-[[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-3,4-dihydro-2H-pyrano[2,3-f]quinoline (PubChem CID 10223484) has the molecular formula C26H24FN3O and a molecular weight of 413.50 g/mol. Its IUPAC name is 2-[[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-3,4-dihydro-2H-pyrano[2,3-f]quinoline.

Molecular Properties

Compound Name2-[[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-3,4-dihydro-2H-pyrano[2,3-f]quinoline
PubChem CID10223484
Molecular FormulaC26H24FN3O
Molecular Weight413.50 g/mol
Exact Mass413.19
IUPAC Name2-[[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-3,4-dihydro-2H-pyrano[2,3-f]quinoline
SMILESFc1ccc2[nH]cc(C3=CCN(CC4CCc5ccc6ncccc6c5O4)CC3)c2c1
InChIInChI=1S/C26H24FN3O/c27-19-5-8-25-22(14-19)23(15-29-25)17-9-12-30(13-10-17)16-20-6-3-18-4-7-24-21(26(18)31-20)2-1-11-28-24/h1-2,4-5,7-9,11,14-15,20,29H,3,6,10,12-13,16H2
InChIKeyBPAWHQIJSTVROE-UHFFFAOYSA-N
XLogP5.34
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.50
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-3,4-dihydro-2H-pyrano[2,3-f]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-3,4-dihydro-2H-pyrano[2,3-f]quinoline?
The IUPAC name of 2-[[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-3,4-dihydro-2H-pyrano[2,3-f]quinoline (CID 10223484) is 2-[[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-3,4-dihydro-2H-pyrano[2,3-f]quinoline.
What is the SMILES notation for 2-[[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-3,4-dihydro-2H-pyrano[2,3-f]quinoline?
The canonical SMILES for 2-[[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-3,4-dihydro-2H-pyrano[2,3-f]quinoline is Fc1ccc2[nH]cc(C3=CCN(CC4CCc5ccc6ncccc6c5O4)CC3)c2c1.
What is the InChIKey of 2-[[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-3,4-dihydro-2H-pyrano[2,3-f]quinoline?
The InChIKey is BPAWHQIJSTVROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O/c27-19-5-8-25-22(14-19)23(15-29-25)17-9-12-30(13-10-17)16-20-6-3-18-4-7-24-21(26(18)31-20)2-1-11-28-24/h1-2,4-5,7-9,11,14-15,20,29H,3,6,10,12-13,16H2.
What are the key properties of 2-[[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-3,4-dihydro-2H-pyrano[2,3-f]quinoline?
2-[[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-3,4-dihydro-2H-pyrano[2,3-f]quinoline has a molecular weight of 413.50 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-3,4-dihydro-2H-pyrano[2,3-f]quinoline is sourced from PubChem (CID 10223484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).