(1R)-1-ethyl-6-fluoro-2-(naphthalen-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole

C24H23FN2 — CID 71567707

IUPAC(1R)-1-ethyl-6-fluoro-2-(naphthalen-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
SMILESCC[C@@H]1c2[nH]c3ccc(F)cc3c2CCN1Cc1cccc2ccccc12
InChIInChI=1S/C24H23FN2/c1-2-23-24-20(21-14-18(25)10-11-22(21)26-24)12-13-27(23)15-17-8-5-7-16-6-3-4-9-19(16)17/h3-11,14,23,26H,2,12-13,15H2,1H3/t23-/m1/s1
InChIKeyUUJJZCZPXVUGQF-HSZRJFAPSA-N
MW358.46 g/mol
LogP5.97
Rot. Bonds3

About (1R)-1-ethyl-6-fluoro-2-(naphthalen-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole

(1R)-1-ethyl-6-fluoro-2-(naphthalen-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole (PubChem CID 71567707) has the molecular formula C24H23FN2 and a molecular weight of 358.46 g/mol. Its IUPAC name is (1R)-1-ethyl-6-fluoro-2-(naphthalen-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole.

Molecular Properties

Compound Name(1R)-1-ethyl-6-fluoro-2-(naphthalen-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
PubChem CID71567707
Molecular FormulaC24H23FN2
Molecular Weight358.46 g/mol
Exact Mass358.18
IUPAC Name(1R)-1-ethyl-6-fluoro-2-(naphthalen-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
SMILESCC[C@@H]1c2[nH]c3ccc(F)cc3c2CCN1Cc1cccc2ccccc12
InChIInChI=1S/C24H23FN2/c1-2-23-24-20(21-14-18(25)10-11-22(21)26-24)12-13-27(23)15-17-8-5-7-16-6-3-4-9-19(16)17/h3-11,14,23,26H,2,12-13,15H2,1H3/t23-/m1/s1
InChIKeyUUJJZCZPXVUGQF-HSZRJFAPSA-N
XLogP5.97
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.46
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R)-1-ethyl-6-fluoro-2-(naphthalen-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole with MolForge

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Related Compounds

(1R)-1-ethyl-2-(naphthalen-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 71567690
(1R)-1-ethyl-6-methoxy-2-(naphthalen-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 71567703
2-(1,3-benzodioxol-4-ylmethyl)-1-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 4521698
1-ethyl-2-(5-fluoro-2-methylphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 3666968
N-(2-bromo-4-fluorophenyl)-1-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide
CID 3754157
6-fluoro-2-[(2-fluorophenyl)methyl]-4,9-dihydro-3H-pyrido[3,4-b]indol-1-one
CID 68598740
2-benzyl-1-hexyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 101495867
1-(6-methyl-2-pyridinyl)-2-(quinoxalin-5-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 45207763
3-[(1S)-2-(quinoxalin-5-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenol
CID 25278325
(1S)-1-(4-fluoro-3-methoxyphenyl)-2-(quinoxalin-5-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 25298584
1-(4-fluoro-3-methoxyphenyl)-2-(quinoxalin-5-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 45211007
2-benzyl-1-(2-phenylethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 102237020

Frequently Asked Questions

What is the IUPAC name of (1R)-1-ethyl-6-fluoro-2-(naphthalen-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The IUPAC name of (1R)-1-ethyl-6-fluoro-2-(naphthalen-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole (CID 71567707) is (1R)-1-ethyl-6-fluoro-2-(naphthalen-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole.
What is the SMILES notation for (1R)-1-ethyl-6-fluoro-2-(naphthalen-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The canonical SMILES for (1R)-1-ethyl-6-fluoro-2-(naphthalen-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole is CC[C@@H]1c2[nH]c3ccc(F)cc3c2CCN1Cc1cccc2ccccc12.
What is the InChIKey of (1R)-1-ethyl-6-fluoro-2-(naphthalen-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The InChIKey is UUJJZCZPXVUGQF-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H23FN2/c1-2-23-24-20(21-14-18(25)10-11-22(21)26-24)12-13-27(23)15-17-8-5-7-16-6-3-4-9-19(16)17/h3-11,14,23,26H,2,12-13,15H2,1H3/t23-/m1/s1.
What are the key properties of (1R)-1-ethyl-6-fluoro-2-(naphthalen-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole?
(1R)-1-ethyl-6-fluoro-2-(naphthalen-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole has a molecular weight of 358.46 g/mol, XLogP of 5.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-ethyl-6-fluoro-2-(naphthalen-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole is sourced from PubChem (CID 71567707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).