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

C26H24FN3O2 — CID 10159711

IUPAC2-[[4-(5-fluoro-1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline
SMILESCn1cc(C2=CCN(CC3COc4ccc5ncccc5c4O3)CC2)c2cc(F)ccc21
InChIInChI=1S/C26H24FN3O2/c1-29-15-22(21-13-18(27)4-6-24(21)29)17-8-11-30(12-9-17)14-19-16-31-25-7-5-23-20(26(25)32-19)3-2-10-28-23/h2-8,10,13,15,19H,9,11-12,14,16H2,1H3
InChIKeySPVCEKGJQSALGP-UHFFFAOYSA-N
MW429.50 g/mol
LogP4.79
Rot. Bonds3

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

2-[[4-(5-fluoro-1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline (PubChem CID 10159711) has the molecular formula C26H24FN3O2 and a molecular weight of 429.50 g/mol. Its IUPAC name is 2-[[4-(5-fluoro-1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline.

Molecular Properties

Compound Name2-[[4-(5-fluoro-1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline
PubChem CID10159711
Molecular FormulaC26H24FN3O2
Molecular Weight429.50 g/mol
Exact Mass429.19
IUPAC Name2-[[4-(5-fluoro-1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline
SMILESCn1cc(C2=CCN(CC3COc4ccc5ncccc5c4O3)CC2)c2cc(F)ccc21
InChIInChI=1S/C26H24FN3O2/c1-29-15-22(21-13-18(27)4-6-24(21)29)17-8-11-30(12-9-17)14-19-16-31-25-7-5-23-20(26(25)32-19)3-2-10-28-23/h2-8,10,13,15,19H,9,11-12,14,16H2,1H3
InChIKeySPVCEKGJQSALGP-UHFFFAOYSA-N
XLogP4.79
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-fluoro-1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline?
The IUPAC name of 2-[[4-(5-fluoro-1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline (CID 10159711) is 2-[[4-(5-fluoro-1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline.
What is the SMILES notation for 2-[[4-(5-fluoro-1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline?
The canonical SMILES for 2-[[4-(5-fluoro-1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline is Cn1cc(C2=CCN(CC3COc4ccc5ncccc5c4O3)CC2)c2cc(F)ccc21.
What is the InChIKey of 2-[[4-(5-fluoro-1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline?
The InChIKey is SPVCEKGJQSALGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O2/c1-29-15-22(21-13-18(27)4-6-24(21)29)17-8-11-30(12-9-17)14-19-16-31-25-7-5-23-20(26(25)32-19)3-2-10-28-23/h2-8,10,13,15,19H,9,11-12,14,16H2,1H3.
What are the key properties of 2-[[4-(5-fluoro-1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline?
2-[[4-(5-fluoro-1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline has a molecular weight of 429.50 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-fluoro-1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline is sourced from PubChem (CID 10159711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).