2-ethyl-6-fluoro-3,9-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole

C23H27FN2 — CID 51029742

IUPAC2-ethyl-6-fluoro-3,9-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCCN1Cc2c(n(CCc3ccccc3)c3c(F)ccc(C)c23)CC1C
InChIInChI=1S/C23H27FN2/c1-4-25-15-19-21(14-17(25)3)26(13-12-18-8-6-5-7-9-18)23-20(24)11-10-16(2)22(19)23/h5-11,17H,4,12-15H2,1-3H3
InChIKeyZTHFHQNVCAYPFT-UHFFFAOYSA-N
MW350.48 g/mol
LogP5.10
Rot. Bonds4

About 2-ethyl-6-fluoro-3,9-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole

2-ethyl-6-fluoro-3,9-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 51029742) has the molecular formula C23H27FN2 and a molecular weight of 350.48 g/mol. Its IUPAC name is 2-ethyl-6-fluoro-3,9-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name2-ethyl-6-fluoro-3,9-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID51029742
Molecular FormulaC23H27FN2
Molecular Weight350.48 g/mol
Exact Mass350.22
IUPAC Name2-ethyl-6-fluoro-3,9-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCCN1Cc2c(n(CCc3ccccc3)c3c(F)ccc(C)c23)CC1C
InChIInChI=1S/C23H27FN2/c1-4-25-15-19-21(14-17(25)3)26(13-12-18-8-6-5-7-9-18)23-20(24)11-10-16(2)22(19)23/h5-11,17H,4,12-15H2,1-3H3
InChIKeyZTHFHQNVCAYPFT-UHFFFAOYSA-N
XLogP5.10
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.48
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-6-fluoro-3,9-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole with MolForge

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Related Compounds

2-ethyl-6-fluoro-3,9-dimethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759390
2-ethyl-3,6-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 51030938
2-ethyl-6-fluoro-3-methyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759617
5-[2-(4-chlorophenyl)ethyl]-2-ethyl-3,6-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759318
6-fluoro-2,3,9-trimethyl-5-[2-(3-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759530
2-ethyl-3,6-dimethyl-5-[2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759480
2-ethyl-3,8-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 51030754
6-fluoro-2,3-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 51029651
8-chloro-2-ethyl-3-methyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759060
6,8-difluoro-2,3-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 51029739
8-chloro-2-ethyl-3-methyl-5-[2-(3-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759098
2-benzyl-3-methyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759302

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-fluoro-3,9-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 2-ethyl-6-fluoro-3,9-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 51029742) is 2-ethyl-6-fluoro-3,9-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 2-ethyl-6-fluoro-3,9-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 2-ethyl-6-fluoro-3,9-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is CCN1Cc2c(n(CCc3ccccc3)c3c(F)ccc(C)c23)CC1C.
What is the InChIKey of 2-ethyl-6-fluoro-3,9-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is ZTHFHQNVCAYPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2/c1-4-25-15-19-21(14-17(25)3)26(13-12-18-8-6-5-7-9-18)23-20(24)11-10-16(2)22(19)23/h5-11,17H,4,12-15H2,1-3H3.
What are the key properties of 2-ethyl-6-fluoro-3,9-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
2-ethyl-6-fluoro-3,9-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 350.48 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-fluoro-3,9-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 51029742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).