2-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-9-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline

C26H25N3O2 — CID 10112300

IUPAC2-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-9-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline
SMILESCc1cnc2ccc3c(c2c1)OC(CN1CC=C(c2c[nH]c4ccccc24)CC1)CO3
InChIInChI=1S/C26H25N3O2/c1-17-12-21-24(27-13-17)6-7-25-26(21)31-19(16-30-25)15-29-10-8-18(9-11-29)22-14-28-23-5-3-2-4-20(22)23/h2-8,12-14,19,28H,9-11,15-16H2,1H3
InChIKeyAQVIESYSZKSPLD-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.95
Rot. Bonds3

About 2-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-9-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline

2-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-9-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline (PubChem CID 10112300) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 2-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-9-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline.

Molecular Properties

Compound Name2-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-9-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline
PubChem CID10112300
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC Name2-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-9-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline
SMILESCc1cnc2ccc3c(c2c1)OC(CN1CC=C(c2c[nH]c4ccccc24)CC1)CO3
InChIInChI=1S/C26H25N3O2/c1-17-12-21-24(27-13-17)6-7-25-26(21)31-19(16-30-25)15-29-10-8-18(9-11-29)22-14-28-23-5-3-2-4-20(22)23/h2-8,12-14,19,28H,9-11,15-16H2,1H3
InChIKeyAQVIESYSZKSPLD-UHFFFAOYSA-N
XLogP4.95
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-9-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline?
The IUPAC name of 2-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-9-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline (CID 10112300) is 2-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-9-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline.
What is the SMILES notation for 2-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-9-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline?
The canonical SMILES for 2-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-9-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline is Cc1cnc2ccc3c(c2c1)OC(CN1CC=C(c2c[nH]c4ccccc24)CC1)CO3.
What is the InChIKey of 2-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-9-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline?
The InChIKey is AQVIESYSZKSPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-17-12-21-24(27-13-17)6-7-25-26(21)31-19(16-30-25)15-29-10-8-18(9-11-29)22-14-28-23-5-3-2-4-20(22)23/h2-8,12-14,19,28H,9-11,15-16H2,1H3.
What are the key properties of 2-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-9-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline?
2-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-9-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline has a molecular weight of 411.51 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-9-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline is sourced from PubChem (CID 10112300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).