1-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-2,3-dihydroinden-1-ol

C23H26N2O — CID 90294083

IUPAC1-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-2,3-dihydroinden-1-ol
SMILESCc1ccc2c(c1)c1c(n2CC2(O)CCc3ccccc32)CCN(C)C1
InChIInChI=1S/C23H26N2O/c1-16-7-8-21-18(13-16)19-14-24(2)12-10-22(19)25(21)15-23(26)11-9-17-5-3-4-6-20(17)23/h3-8,13,26H,9-12,14-15H2,1-2H3
InChIKeyPVZYNEVILPLJHX-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.77
Rot. Bonds2

About 1-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-2,3-dihydroinden-1-ol

1-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-2,3-dihydroinden-1-ol (PubChem CID 90294083) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-2,3-dihydroinden-1-ol
PubChem CID90294083
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name1-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-2,3-dihydroinden-1-ol
SMILESCc1ccc2c(c1)c1c(n2CC2(O)CCc3ccccc32)CCN(C)C1
InChIInChI=1S/C23H26N2O/c1-16-7-8-21-18(13-16)19-14-24(2)12-10-22(19)25(21)15-23(26)11-9-17-5-3-4-6-20(17)23/h3-8,13,26H,9-12,14-15H2,1-2H3
InChIKeyPVZYNEVILPLJHX-UHFFFAOYSA-N
XLogP3.77
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(3,9-dimethyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-6-yl)methyl]-3,5-dimethylcyclohexan-1-ol
CID 90294072
5-[2-(4-ethylphenyl)ethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 58147048
5-(2,2-diphenylethenyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 59455232
2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-phenyl-1-pyridin-4-ylethanol
CID 50943981
2,8-dimethyl-5-[(E)-3-(4-methylphenyl)prop-2-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 67312399
1-[4-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]phenyl]-2-hydroxyethanone
CID 157324412
[4-[3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propyl]phenyl]phosphane
CID 70843063
4-benzyl-2,7-dimethyl-1,3-dihydropyrrolo[3,4-b]indole
CID 58159616
8-chloro-5-[[2-(2-fluorophenyl)-1,3-dioxolan-2-yl]methyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 50943982
5-[(Z)-2,3-dihydroinden-1-ylidenemethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 90293996
N-(1-adamantyl)-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide
CID 172676365
5-[(E)-2-fluoro-1,2-diphenylethenyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 59455193

Frequently Asked Questions

What is the IUPAC name of 1-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-2,3-dihydroinden-1-ol?
The IUPAC name of 1-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-2,3-dihydroinden-1-ol (CID 90294083) is 1-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-2,3-dihydroinden-1-ol is Cc1ccc2c(c1)c1c(n2CC2(O)CCc3ccccc32)CCN(C)C1.
What is the InChIKey of 1-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-2,3-dihydroinden-1-ol?
The InChIKey is PVZYNEVILPLJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c1-16-7-8-21-18(13-16)19-14-24(2)12-10-22(19)25(21)15-23(26)11-9-17-5-3-4-6-20(17)23/h3-8,13,26H,9-12,14-15H2,1-2H3.
What are the key properties of 1-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-2,3-dihydroinden-1-ol?
1-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-2,3-dihydroinden-1-ol has a molecular weight of 346.47 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-2,3-dihydroinden-1-ol is sourced from PubChem (CID 90294083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).