6-methyl-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole

C18H18N2 — CID 106821096

IUPAC6-methyl-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
SMILESCc1cccc2c3c([nH]c12)CCN(c1ccccc1)C3
InChIInChI=1S/C18H18N2/c1-13-6-5-9-15-16-12-20(14-7-3-2-4-8-14)11-10-17(16)19-18(13)15/h2-9,19H,10-12H2,1H3
InChIKeyPUMHULQOMQVWRB-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.04
Rot. Bonds1

About 6-methyl-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole

6-methyl-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole (PubChem CID 106821096) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 6-methyl-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name6-methyl-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
PubChem CID106821096
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name6-methyl-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
SMILESCc1cccc2c3c([nH]c12)CCN(c1ccccc1)C3
InChIInChI=1S/C18H18N2/c1-13-6-5-9-15-16-12-20(14-7-3-2-4-8-14)11-10-17(16)19-18(13)15/h2-9,19H,10-12H2,1H3
InChIKeyPUMHULQOMQVWRB-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
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-ethyl-6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 65335330
8-methyl-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 68763051
6-methyl-2-(oxolan-2-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 45213585
8-fluoro-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 106821098
(1R)-2-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1-thiophen-2-ylethanol
CID 51586804
(3,5-dimethyl-4H-1,2-oxazol-5-yl)-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 118778382
(5S)-5-[3-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione
CID 97119685
[5-(2-methoxyphenyl)pyrazolidin-3-yl]-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 75261959
2-(8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetic acid
CID 84630860
(1-cyanocyclopropyl)carbamic acid;cyclohexyl-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 71205633
4-[3-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-oxopropyl]-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione
CID 46972552
[5-methyl-4-(pyrrolidin-1-ylmethyl)furan-2-yl]-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 46970590

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The IUPAC name of 6-methyl-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole (CID 106821096) is 6-methyl-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole.
What is the SMILES notation for 6-methyl-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The canonical SMILES for 6-methyl-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole is Cc1cccc2c3c([nH]c12)CCN(c1ccccc1)C3.
What is the InChIKey of 6-methyl-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The InChIKey is PUMHULQOMQVWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-13-6-5-9-15-16-12-20(14-7-3-2-4-8-14)11-10-17(16)19-18(13)15/h2-9,19H,10-12H2,1H3.
What are the key properties of 6-methyl-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
6-methyl-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole has a molecular weight of 262.36 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole is sourced from PubChem (CID 106821096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).