2-methyl-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole

C18H18N2 — CID 12666884

IUPAC2-methyl-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
SMILESCN1CCc2c([nH]c3ccccc23)C1c1ccccc1
InChIInChI=1S/C18H18N2/c1-20-12-11-15-14-9-5-6-10-16(14)19-17(15)18(20)13-7-3-2-4-8-13/h2-10,18-19H,11-12H2,1H3
InChIKeyCENKYMQRVLVTLY-UHFFFAOYSA-N
MW262.36 g/mol
LogP3.75
Rot. Bonds1

About 2-methyl-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole

2-methyl-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole (PubChem CID 12666884) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-methyl-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole.

Molecular Properties

Compound Name2-methyl-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
PubChem CID12666884
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name2-methyl-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
SMILESCN1CCc2c([nH]c3ccccc23)C1c1ccccc1
InChIInChI=1S/C18H18N2/c1-20-12-11-15-14-9-5-6-10-16(14)19-17(15)18(20)13-7-3-2-4-8-13/h2-10,18-19H,11-12H2,1H3
InChIKeyCENKYMQRVLVTLY-UHFFFAOYSA-N
XLogP3.75
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 53.75
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

2-tert-butyl-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 118880821
1-(2,3-dichlorophenyl)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 143848673
(1R)-2-methyl-1-(6-methyl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 29002297
2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid
CID 83756423
1-phenyl-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 91365347
(1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl) acetate
CID 67696379
1-[(1S)-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]butan-1-one
CID 92730348
1-cyclobutyl-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 141010489
(4-methylphenyl)-[(1R)-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone
CID 40544446
(1R)-2-[(1R)-1-naphthalen-1-ylethyl]-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 10993114
2-(4-methylpiperazin-1-yl)-1-(1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone;dihydrochloride
CID 21156229
(2S,3R)-5-methyl-3-phenyl-5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene
CID 10381147

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The IUPAC name of 2-methyl-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole (CID 12666884) is 2-methyl-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole.
What is the SMILES notation for 2-methyl-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The canonical SMILES for 2-methyl-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole is CN1CCc2c([nH]c3ccccc23)C1c1ccccc1.
What is the InChIKey of 2-methyl-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The InChIKey is CENKYMQRVLVTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-20-12-11-15-14-9-5-6-10-16(14)19-17(15)18(20)13-7-3-2-4-8-13/h2-10,18-19H,11-12H2,1H3.
What are the key properties of 2-methyl-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole?
2-methyl-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole has a molecular weight of 262.36 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole is sourced from PubChem (CID 12666884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).