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

C22H24N2O — CID 46224916

IUPAC5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCOc1ccc(/C=C\n2c3c(c4cc(C)ccc42)CN(C)CC3)cc1
InChIInChI=1S/C22H24N2O/c1-16-4-9-21-19(14-16)20-15-23(2)12-11-22(20)24(21)13-10-17-5-7-18(25-3)8-6-17/h4-10,13-14H,11-12,15H2,1-3H3/b13-10-
InChIKeyMFSKUIKDMBDVCX-RAXLEYEMSA-N
MW332.45 g/mol
LogP4.57
Rot. Bonds3

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

5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 46224916) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID46224916
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCOc1ccc(/C=C\n2c3c(c4cc(C)ccc42)CN(C)CC3)cc1
InChIInChI=1S/C22H24N2O/c1-16-4-9-21-19(14-16)20-15-23(2)12-11-22(20)24(21)13-10-17-5-7-18(25-3)8-6-17/h4-10,13-14H,11-12,15H2,1-3H3/b13-10-
InChIKeyMFSKUIKDMBDVCX-RAXLEYEMSA-N
XLogP4.57
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 46224916) is 5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole is COc1ccc(/C=C\n2c3c(c4cc(C)ccc42)CN(C)CC3)cc1.
What is the InChIKey of 5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is MFSKUIKDMBDVCX-RAXLEYEMSA-N. The full InChI is InChI=1S/C22H24N2O/c1-16-4-9-21-19(14-16)20-15-23(2)12-11-22(20)24(21)13-10-17-5-7-18(25-3)8-6-17/h4-10,13-14H,11-12,15H2,1-3H3/b13-10-.
What are the key properties of 5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 332.45 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 46224916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).