1,2,3-trimethyl-5-(2-naphthalen-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole

C26H28N2 — CID 142759216

IUPAC1,2,3-trimethyl-5-(2-naphthalen-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCC1Cc2c(c3ccccc3n2CCc2cccc3ccccc23)C(C)N1C
InChIInChI=1S/C26H28N2/c1-18-17-25-26(19(2)27(18)3)23-13-6-7-14-24(23)28(25)16-15-21-11-8-10-20-9-4-5-12-22(20)21/h4-14,18-19H,15-17H2,1-3H3
InChIKeyXIHJCRNATROJGQ-UHFFFAOYSA-N
MW368.52 g/mol
LogP5.97
Rot. Bonds3

About 1,2,3-trimethyl-5-(2-naphthalen-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole

1,2,3-trimethyl-5-(2-naphthalen-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 142759216) has the molecular formula C26H28N2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 1,2,3-trimethyl-5-(2-naphthalen-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name1,2,3-trimethyl-5-(2-naphthalen-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID142759216
Molecular FormulaC26H28N2
Molecular Weight368.52 g/mol
Exact Mass368.23
IUPAC Name1,2,3-trimethyl-5-(2-naphthalen-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCC1Cc2c(c3ccccc3n2CCc2cccc3ccccc23)C(C)N1C
InChIInChI=1S/C26H28N2/c1-18-17-25-26(19(2)27(18)3)23-13-6-7-14-24(23)28(25)16-15-21-11-8-10-20-9-4-5-12-22(20)21/h4-14,18-19H,15-17H2,1-3H3
InChIKeyXIHJCRNATROJGQ-UHFFFAOYSA-N
XLogP5.97
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2,3-trimethyl-5-[2-(3-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142758902
1,2,3,8-tetramethyl-5-[2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759440
6-chloro-1,2,3-trimethyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759453
1,2,3,8-tetramethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759333
6-chloro-1,2,3-trimethyl-5-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759320
1,2,3,6-tetramethyl-5-(2-phenoxyethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759527
1-(2-naphthalen-1-ylethyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671011
4-(hydroxymethyl)-1-(2-naphthalen-1-ylethyl)pyrrolidin-2-one
CID 168663115
9-[2-(4-methoxyphenyl)ethyl]-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
CID 142759287
16-methyl-9-(3-phenylpropyl)-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene
CID 142759487
1-(4-fluorobutyl)naphthalene
CID 174977280
1-(2-naphthalen-1-ylethyl)-4-sulfanylpyrrolidin-2-one
CID 168709415

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-5-(2-naphthalen-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 1,2,3-trimethyl-5-(2-naphthalen-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 142759216) is 1,2,3-trimethyl-5-(2-naphthalen-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 1,2,3-trimethyl-5-(2-naphthalen-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 1,2,3-trimethyl-5-(2-naphthalen-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is CC1Cc2c(c3ccccc3n2CCc2cccc3ccccc23)C(C)N1C.
What is the InChIKey of 1,2,3-trimethyl-5-(2-naphthalen-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is XIHJCRNATROJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2/c1-18-17-25-26(19(2)27(18)3)23-13-6-7-14-24(23)28(25)16-15-21-11-8-10-20-9-4-5-12-22(20)21/h4-14,18-19H,15-17H2,1-3H3.
What are the key properties of 1,2,3-trimethyl-5-(2-naphthalen-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
1,2,3-trimethyl-5-(2-naphthalen-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 368.52 g/mol, XLogP of 5.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-5-(2-naphthalen-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 142759216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).