1-(furan-3-yl)-2-(furan-2-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol

C20H18N2O3 — CID 145496118

IUPAC1-(furan-3-yl)-2-(furan-2-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol
SMILESOc1ccc2[nH]c3c(c2c1)CCN(Cc1ccco1)C3c1ccoc1
InChIInChI=1S/C20H18N2O3/c23-14-3-4-18-17(10-14)16-5-7-22(11-15-2-1-8-25-15)20(19(16)21-18)13-6-9-24-12-13/h1-4,6,8-10,12,20-21,23H,5,7,11H2
InChIKeyORKMPPSQOCDLFN-UHFFFAOYSA-N
MW334.38 g/mol
LogP4.21
Rot. Bonds3

About 1-(furan-3-yl)-2-(furan-2-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol

1-(furan-3-yl)-2-(furan-2-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol (PubChem CID 145496118) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 1-(furan-3-yl)-2-(furan-2-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol.

Molecular Properties

Compound Name1-(furan-3-yl)-2-(furan-2-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol
PubChem CID145496118
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name1-(furan-3-yl)-2-(furan-2-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol
SMILESOc1ccc2[nH]c3c(c2c1)CCN(Cc1ccco1)C3c1ccoc1
InChIInChI=1S/C20H18N2O3/c23-14-3-4-18-17(10-14)16-5-7-22(11-15-2-1-8-25-15)20(19(16)21-18)13-6-9-24-12-13/h1-4,6,8-10,12,20-21,23H,5,7,11H2
InChIKeyORKMPPSQOCDLFN-UHFFFAOYSA-N
XLogP4.21
TPSA65.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(furan-3-yl)-2-(furan-2-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol with MolForge

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Related Compounds

2-methyl-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol
CID 145496012
3-[(1S)-2-(quinoxalin-5-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenol
CID 25278325
1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol
CID 45097462
[5-[[1-(4-methoxy-3-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methyl]furan-2-yl]methanol
CID 45242680
1-(4-fluoro-3-methoxyphenyl)-2-[[5-(methoxymethyl)furan-2-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 45226044
1-[6-chloro-1-(3-hydroxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanone
CID 59597068
1-[(1S)-1-(2-chloro-6-fluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-3-(furan-2-yl)propan-1-one
CID 25281134
2-[(1R)-1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanol
CID 122367996
3-[(1R)-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenol
CID 31015986
1-(3,5-dimethoxyphenyl)-2-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 10427131
(1R,9R,13R)-10-(furan-2-ylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 71716573
16,18-dichloro-7-hydroxy-21-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,15(20),16,18-heptaen-14-one
CID 86293924

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-2-(furan-2-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol?
The IUPAC name of 1-(furan-3-yl)-2-(furan-2-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol (CID 145496118) is 1-(furan-3-yl)-2-(furan-2-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol.
What is the SMILES notation for 1-(furan-3-yl)-2-(furan-2-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol?
The canonical SMILES for 1-(furan-3-yl)-2-(furan-2-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol is Oc1ccc2[nH]c3c(c2c1)CCN(Cc1ccco1)C3c1ccoc1.
What is the InChIKey of 1-(furan-3-yl)-2-(furan-2-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol?
The InChIKey is ORKMPPSQOCDLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c23-14-3-4-18-17(10-14)16-5-7-22(11-15-2-1-8-25-15)20(19(16)21-18)13-6-9-24-12-13/h1-4,6,8-10,12,20-21,23H,5,7,11H2.
What are the key properties of 1-(furan-3-yl)-2-(furan-2-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol?
1-(furan-3-yl)-2-(furan-2-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol has a molecular weight of 334.38 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-2-(furan-2-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol is sourced from PubChem (CID 145496118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).