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

C21H22N2 — CID 46224879

IUPAC2,8-dimethyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCc1ccc2c(c1)c1c(n2/C=C\c2ccccc2)CCN(C)C1
InChIInChI=1S/C21H22N2/c1-16-8-9-20-18(14-16)19-15-22(2)12-11-21(19)23(20)13-10-17-6-4-3-5-7-17/h3-10,13-14H,11-12,15H2,1-2H3/b13-10-
InChIKeyXQDRWCFJBHLWPR-RAXLEYEMSA-N
MW302.42 g/mol
LogP4.57
Rot. Bonds2

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

2,8-dimethyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 46224879) has the molecular formula C21H22N2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2,8-dimethyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name2,8-dimethyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID46224879
Molecular FormulaC21H22N2
Molecular Weight302.42 g/mol
Exact Mass302.18
IUPAC Name2,8-dimethyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCc1ccc2c(c1)c1c(n2/C=C\c2ccccc2)CCN(C)C1
InChIInChI=1S/C21H22N2/c1-16-8-9-20-18(14-16)19-15-22(2)12-11-21(19)23(20)13-10-17-6-4-3-5-7-17/h3-10,13-14H,11-12,15H2,1-2H3/b13-10-
InChIKeyXQDRWCFJBHLWPR-RAXLEYEMSA-N
XLogP4.57
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 2,8-dimethyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 46224879) is 2,8-dimethyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 2,8-dimethyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 2,8-dimethyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is Cc1ccc2c(c1)c1c(n2/C=C\c2ccccc2)CCN(C)C1.
What is the InChIKey of 2,8-dimethyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is XQDRWCFJBHLWPR-RAXLEYEMSA-N. The full InChI is InChI=1S/C21H22N2/c1-16-8-9-20-18(14-16)19-15-22(2)12-11-21(19)23(20)13-10-17-6-4-3-5-7-17/h3-10,13-14H,11-12,15H2,1-2H3/b13-10-.
What are the key properties of 2,8-dimethyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
2,8-dimethyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 302.42 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 46224879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).