5-[(Z)-2,3-dihydroinden-1-ylidenemethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole

C23H24N2 — CID 90293996

IUPAC5-[(Z)-2,3-dihydroinden-1-ylidenemethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCc1ccc2c(c1)c1c(n2/C=C2/CCc3ccccc32)CCN(C)C1
InChIInChI=1S/C23H24N2/c1-16-7-10-22-20(13-16)21-15-24(2)12-11-23(21)25(22)14-18-9-8-17-5-3-4-6-19(17)18/h3-7,10,13-14H,8-9,11-12,15H2,1-2H3/b18-14-
InChIKeyBFKSBGGYPVVFHV-JXAWBTAJSA-N
MW328.46 g/mol
LogP4.88
Rot. Bonds1

About 5-[(Z)-2,3-dihydroinden-1-ylidenemethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole

5-[(Z)-2,3-dihydroinden-1-ylidenemethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 90293996) has the molecular formula C23H24N2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 5-[(Z)-2,3-dihydroinden-1-ylidenemethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-[(Z)-2,3-dihydroinden-1-ylidenemethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID90293996
Molecular FormulaC23H24N2
Molecular Weight328.46 g/mol
Exact Mass328.19
IUPAC Name5-[(Z)-2,3-dihydroinden-1-ylidenemethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCc1ccc2c(c1)c1c(n2/C=C2/CCc3ccccc32)CCN(C)C1
InChIInChI=1S/C23H24N2/c1-16-7-10-22-20(13-16)21-15-24(2)12-11-23(21)25(22)14-18-9-8-17-5-3-4-6-19(17)18/h3-7,10,13-14H,8-9,11-12,15H2,1-2H3/b18-14-
InChIKeyBFKSBGGYPVVFHV-JXAWBTAJSA-N
XLogP4.88
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2,3-dihydroinden-1-ylidenemethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 5-[(Z)-2,3-dihydroinden-1-ylidenemethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 90293996) is 5-[(Z)-2,3-dihydroinden-1-ylidenemethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 5-[(Z)-2,3-dihydroinden-1-ylidenemethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 5-[(Z)-2,3-dihydroinden-1-ylidenemethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole is Cc1ccc2c(c1)c1c(n2/C=C2/CCc3ccccc32)CCN(C)C1.
What is the InChIKey of 5-[(Z)-2,3-dihydroinden-1-ylidenemethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is BFKSBGGYPVVFHV-JXAWBTAJSA-N. The full InChI is InChI=1S/C23H24N2/c1-16-7-10-22-20(13-16)21-15-24(2)12-11-23(21)25(22)14-18-9-8-17-5-3-4-6-19(17)18/h3-7,10,13-14H,8-9,11-12,15H2,1-2H3/b18-14-.
What are the key properties of 5-[(Z)-2,3-dihydroinden-1-ylidenemethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
5-[(Z)-2,3-dihydroinden-1-ylidenemethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 328.46 g/mol, XLogP of 4.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2,3-dihydroinden-1-ylidenemethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 90293996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).