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

C24H24N2 — CID 71567690

IUPAC(1R)-1-ethyl-2-(naphthalen-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
SMILESCC[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1cccc2ccccc12
InChIInChI=1S/C24H24N2/c1-2-23-24-21(20-12-5-6-13-22(20)25-24)14-15-26(23)16-18-10-7-9-17-8-3-4-11-19(17)18/h3-13,23,25H,2,14-16H2,1H3/t23-/m1/s1
InChIKeyIJXYWZIAEIMQCI-HSZRJFAPSA-N
MW340.47 g/mol
LogP5.83
Rot. Bonds3

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

(1R)-1-ethyl-2-(naphthalen-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole (PubChem CID 71567690) has the molecular formula C24H24N2 and a molecular weight of 340.47 g/mol. Its IUPAC name is (1R)-1-ethyl-2-(naphthalen-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole.

Molecular Properties

Compound Name(1R)-1-ethyl-2-(naphthalen-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
PubChem CID71567690
Molecular FormulaC24H24N2
Molecular Weight340.47 g/mol
Exact Mass340.19
IUPAC Name(1R)-1-ethyl-2-(naphthalen-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
SMILESCC[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1cccc2ccccc12
InChIInChI=1S/C24H24N2/c1-2-23-24-21(20-12-5-6-13-22(20)25-24)14-15-26(23)16-18-10-7-9-17-8-3-4-11-19(17)18/h3-13,23,25H,2,14-16H2,1H3/t23-/m1/s1
InChIKeyIJXYWZIAEIMQCI-HSZRJFAPSA-N
XLogP5.83
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.47
LogP ≤ 55.83
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

(1R)-1-ethyl-6-fluoro-2-(naphthalen-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 71567707
(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
2-benzyl-1-hexyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 101495867
2-benzyl-1-(2-phenylethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 102237020
2-(2-benzyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)acetic acid
CID 68562428
1-(6-methyl-2-pyridinyl)-2-(quinoxalin-5-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 45207763
N,N-diethyl-2-[(2S)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 95728099
3-[(1S)-2-(quinoxalin-5-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenol
CID 25278325
[5-[[1-(2-methylpropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methyl]furan-2-yl]methanol
CID 45231861
2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 45176811
1-(naphthalen-1-ylmethyl)-2-propylpiperazine
CID 64832736

Frequently Asked Questions

What is the IUPAC name of (1R)-1-ethyl-2-(naphthalen-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The IUPAC name of (1R)-1-ethyl-2-(naphthalen-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole (CID 71567690) is (1R)-1-ethyl-2-(naphthalen-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole.
What is the SMILES notation for (1R)-1-ethyl-2-(naphthalen-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The canonical SMILES for (1R)-1-ethyl-2-(naphthalen-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole is CC[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1cccc2ccccc12.
What is the InChIKey of (1R)-1-ethyl-2-(naphthalen-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The InChIKey is IJXYWZIAEIMQCI-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H24N2/c1-2-23-24-21(20-12-5-6-13-22(20)25-24)14-15-26(23)16-18-10-7-9-17-8-3-4-11-19(17)18/h3-13,23,25H,2,14-16H2,1H3/t23-/m1/s1.
What are the key properties of (1R)-1-ethyl-2-(naphthalen-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole?
(1R)-1-ethyl-2-(naphthalen-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole has a molecular weight of 340.47 g/mol, XLogP of 5.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-ethyl-2-(naphthalen-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole is sourced from PubChem (CID 71567690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).