6-ethyl-7-fluoro-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole

C14H17FN2 — CID 144868061

IUPAC6-ethyl-7-fluoro-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
SMILESCCc1cc2c3c([nH]c2cc1F)CN(C)CC3
InChIInChI=1S/C14H17FN2/c1-3-9-6-11-10-4-5-17(2)8-14(10)16-13(11)7-12(9)15/h6-7,16H,3-5,8H2,1-2H3
InChIKeyHVZVMHDGJNHKKA-UHFFFAOYSA-N
MW232.30 g/mol
LogP2.86
Rot. Bonds1

About 6-ethyl-7-fluoro-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole

6-ethyl-7-fluoro-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole (PubChem CID 144868061) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 6-ethyl-7-fluoro-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole.

Molecular Properties

Compound Name6-ethyl-7-fluoro-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
PubChem CID144868061
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Name6-ethyl-7-fluoro-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
SMILESCCc1cc2c3c([nH]c2cc1F)CN(C)CC3
InChIInChI=1S/C14H17FN2/c1-3-9-6-11-10-4-5-17(2)8-14(10)16-13(11)7-12(9)15/h6-7,16H,3-5,8H2,1-2H3
InChIKeyHVZVMHDGJNHKKA-UHFFFAOYSA-N
XLogP2.86
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

8-chloro-9-fluoro-3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole
CID 168762160
6-ethyl-7-methoxy-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 122642796
5-ethyl-8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline
CID 166973712
2-ethyl-7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 144821043
1-(2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-yl)-4-phenylmethoxypyridin-2-one
CID 129143878
triethyl-(3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)silane
CID 168762229
N-[(3-chloro-5-hydroxyphenyl)methyl]formamide;6-chloro-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 153405503
ethyl 6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 113090109
6-fluoro-2-propylsulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 113090120
2-[(Z)-but-1-enyl]-3-ethyl-6-methyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
CID 143591073
2-ethyl-7-fluoro-3,4,5,10-tetrahydro-1H-azepino[3,4-b]indole
CID 71425514
N-(7-chloronaphthalen-2-yl)sulfanyl-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-amine
CID 143423117

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-7-fluoro-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The IUPAC name of 6-ethyl-7-fluoro-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole (CID 144868061) is 6-ethyl-7-fluoro-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole.
What is the SMILES notation for 6-ethyl-7-fluoro-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The canonical SMILES for 6-ethyl-7-fluoro-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole is CCc1cc2c3c([nH]c2cc1F)CN(C)CC3.
What is the InChIKey of 6-ethyl-7-fluoro-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The InChIKey is HVZVMHDGJNHKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c1-3-9-6-11-10-4-5-17(2)8-14(10)16-13(11)7-12(9)15/h6-7,16H,3-5,8H2,1-2H3.
What are the key properties of 6-ethyl-7-fluoro-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole?
6-ethyl-7-fluoro-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole has a molecular weight of 232.30 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-7-fluoro-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole is sourced from PubChem (CID 144868061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).