2-methyl-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol

C19H20N2O — CID 145496012

IUPAC2-methyl-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol
SMILESCc1ccc(C2c3[nH]c4ccc(O)cc4c3CCN2C)cc1
InChIInChI=1S/C19H20N2O/c1-12-3-5-13(6-4-12)19-18-15(9-10-21(19)2)16-11-14(22)7-8-17(16)20-18/h3-8,11,19-20,22H,9-10H2,1-2H3
InChIKeyOIFWHOQXDBIUTC-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.76
Rot. Bonds1

About 2-methyl-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol

2-methyl-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol (PubChem CID 145496012) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-methyl-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol.

Molecular Properties

Compound Name2-methyl-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol
PubChem CID145496012
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name2-methyl-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol
SMILESCc1ccc(C2c3[nH]c4ccc(O)cc4c3CCN2C)cc1
InChIInChI=1S/C19H20N2O/c1-12-3-5-13(6-4-12)19-18-15(9-10-21(19)2)16-11-14(22)7-8-17(16)20-18/h3-8,11,19-20,22H,9-10H2,1-2H3
InChIKeyOIFWHOQXDBIUTC-UHFFFAOYSA-N
XLogP3.76
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.76
H-Bond Donors ≤ 52
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-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol
CID 45097462
2-methyl-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 12666884
1-(2-chlorophenyl)-2,6-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 11738439
(2,6-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)methanamine
CID 82391010
7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-3-ol
CID 2849427
6-chloro-N-(4-chlorophenyl)-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 20920912
6-methoxy-1-(4-methoxyphenyl)-N-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 20920946
6-methoxy-N-(3-methoxyphenyl)-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 50759130
bis((1R)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol);bis((1R)-17-ethyl-7-methyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene);hydrobromide;dihydrochloride
CID 161411981
ethyl 2-[[(1R)-6-chloro-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl]amino]acetate
CID 92706557
(4-methylphenyl)-[(1R)-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone
CID 40544446
1-(furan-3-yl)-2-(furan-2-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol
CID 145496118

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol?
The IUPAC name of 2-methyl-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol (CID 145496012) is 2-methyl-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol.
What is the SMILES notation for 2-methyl-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol?
The canonical SMILES for 2-methyl-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol is Cc1ccc(C2c3[nH]c4ccc(O)cc4c3CCN2C)cc1.
What is the InChIKey of 2-methyl-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol?
The InChIKey is OIFWHOQXDBIUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-12-3-5-13(6-4-12)19-18-15(9-10-21(19)2)16-11-14(22)7-8-17(16)20-18/h3-8,11,19-20,22H,9-10H2,1-2H3.
What are the key properties of 2-methyl-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol?
2-methyl-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol has a molecular weight of 292.38 g/mol, XLogP of 3.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol is sourced from PubChem (CID 145496012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).