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

C20H19FN2 — CID 46224917

IUPAC8-fluoro-2-methyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCN1CCc2c(c3cc(F)ccc3n2/C=C\c2ccccc2)C1
InChIInChI=1S/C20H19FN2/c1-22-11-10-20-18(14-22)17-13-16(21)7-8-19(17)23(20)12-9-15-5-3-2-4-6-15/h2-9,12-13H,10-11,14H2,1H3/b12-9-
InChIKeyBGBNMDBTYCCSBL-XFXZXTDPSA-N
MW306.38 g/mol
LogP4.40
Rot. Bonds2

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

8-fluoro-2-methyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 46224917) has the molecular formula C20H19FN2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 8-fluoro-2-methyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name8-fluoro-2-methyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID46224917
Molecular FormulaC20H19FN2
Molecular Weight306.38 g/mol
Exact Mass306.15
IUPAC Name8-fluoro-2-methyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCN1CCc2c(c3cc(F)ccc3n2/C=C\c2ccccc2)C1
InChIInChI=1S/C20H19FN2/c1-22-11-10-20-18(14-22)17-13-16(21)7-8-19(17)23(20)12-9-15-5-3-2-4-6-15/h2-9,12-13H,10-11,14H2,1H3/b12-9-
InChIKeyBGBNMDBTYCCSBL-XFXZXTDPSA-N
XLogP4.40
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-fluoro-2-methyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole with MolForge

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Related Compounds

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3-Amino-9-ethylcarbazole
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Mebhydrolin
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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-methyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 8-fluoro-2-methyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 46224917) is 8-fluoro-2-methyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 8-fluoro-2-methyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 8-fluoro-2-methyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is CN1CCc2c(c3cc(F)ccc3n2/C=C\c2ccccc2)C1.
What is the InChIKey of 8-fluoro-2-methyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is BGBNMDBTYCCSBL-XFXZXTDPSA-N. The full InChI is InChI=1S/C20H19FN2/c1-22-11-10-20-18(14-22)17-13-16(21)7-8-19(17)23(20)12-9-15-5-3-2-4-6-15/h2-9,12-13H,10-11,14H2,1H3/b12-9-.
What are the key properties of 8-fluoro-2-methyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
8-fluoro-2-methyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 306.38 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-methyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 46224917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).