1-(4-methoxyphenyl)-2-tetradecyl-1,3,4,9-tetrahydropyrido[3,4-b]indole

C32H46N2O — CID 167142756

IUPAC1-(4-methoxyphenyl)-2-tetradecyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
SMILESCCCCCCCCCCCCCCN1CCc2c([nH]c3ccccc23)C1c1ccc(OC)cc1
InChIInChI=1S/C32H46N2O/c1-3-4-5-6-7-8-9-10-11-12-13-16-24-34-25-23-29-28-17-14-15-18-30(28)33-31(29)32(34)26-19-21-27(35-2)22-20-26/h14-15,17-22,32-33H,3-13,16,23-25H2,1-2H3
InChIKeyDQQQTUUXMTZMPP-UHFFFAOYSA-N
MW474.73 g/mol
LogP8.83
Rot. Bonds15

About 1-(4-methoxyphenyl)-2-tetradecyl-1,3,4,9-tetrahydropyrido[3,4-b]indole

1-(4-methoxyphenyl)-2-tetradecyl-1,3,4,9-tetrahydropyrido[3,4-b]indole (PubChem CID 167142756) has the molecular formula C32H46N2O and a molecular weight of 474.73 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-tetradecyl-1,3,4,9-tetrahydropyrido[3,4-b]indole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-tetradecyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
PubChem CID167142756
Molecular FormulaC32H46N2O
Molecular Weight474.73 g/mol
Exact Mass474.36
IUPAC Name1-(4-methoxyphenyl)-2-tetradecyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
SMILESCCCCCCCCCCCCCCN1CCc2c([nH]c3ccccc23)C1c1ccc(OC)cc1
InChIInChI=1S/C32H46N2O/c1-3-4-5-6-7-8-9-10-11-12-13-16-24-34-25-23-29-28-17-14-15-18-30(28)33-31(29)32(34)26-19-21-27(35-2)22-20-26/h14-15,17-22,32-33H,3-13,16,23-25H2,1-2H3
InChIKeyDQQQTUUXMTZMPP-UHFFFAOYSA-N
XLogP8.83
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.73
LogP ≤ 58.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-1-(3,4-dimethoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 10451427
2-[(1R)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-N-propylacetamide
CID 29020571
1-[(1R)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]butan-1-one
CID 92730443
1-(3,5-dimethoxyphenyl)-2-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 10427131
ethoxy-[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanol
CID 145496027
methyl 4-(2-hexanoyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)benzoate
CID 126738731
(1S)-6-methoxy-2-propyl-1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 95802694
N-(2-ethylphenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 20920810
1-(4-methoxyphenyl)-N-(3-methoxypropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 20920815
(1S)-1-(4-fluoro-3-methoxyphenyl)-2-(4,4,4-trifluorobutyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 25460567
methyl 2-[[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl]amino]benzoate
CID 50759073
2-(4,6-dichloropyrimidin-2-yl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 46854997

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-tetradecyl-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The IUPAC name of 1-(4-methoxyphenyl)-2-tetradecyl-1,3,4,9-tetrahydropyrido[3,4-b]indole (CID 167142756) is 1-(4-methoxyphenyl)-2-tetradecyl-1,3,4,9-tetrahydropyrido[3,4-b]indole.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-tetradecyl-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The canonical SMILES for 1-(4-methoxyphenyl)-2-tetradecyl-1,3,4,9-tetrahydropyrido[3,4-b]indole is CCCCCCCCCCCCCCN1CCc2c([nH]c3ccccc23)C1c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-tetradecyl-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The InChIKey is DQQQTUUXMTZMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46N2O/c1-3-4-5-6-7-8-9-10-11-12-13-16-24-34-25-23-29-28-17-14-15-18-30(28)33-31(29)32(34)26-19-21-27(35-2)22-20-26/h14-15,17-22,32-33H,3-13,16,23-25H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-2-tetradecyl-1,3,4,9-tetrahydropyrido[3,4-b]indole?
1-(4-methoxyphenyl)-2-tetradecyl-1,3,4,9-tetrahydropyrido[3,4-b]indole has a molecular weight of 474.73 g/mol, XLogP of 8.83, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-tetradecyl-1,3,4,9-tetrahydropyrido[3,4-b]indole is sourced from PubChem (CID 167142756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).