(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)methanol

C13H14N2O2 — CID 137258618

IUPAC(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)methanol
SMILESCOc1ccc2c3c([nH]c2c1)C(CO)=NCC3
InChIInChI=1S/C13H14N2O2/c1-17-8-2-3-9-10-4-5-14-12(7-16)13(10)15-11(9)6-8/h2-3,6,15-16H,4-5,7H2,1H3
InChIKeyOPLZSVSXSCYBAK-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.51
Rot. Bonds2

About (7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)methanol

(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)methanol (PubChem CID 137258618) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is (7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)methanol.

Molecular Properties

Compound Name(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)methanol
PubChem CID137258618
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)methanol
SMILESCOc1ccc2c3c([nH]c2c1)C(CO)=NCC3
InChIInChI=1S/C13H14N2O2/c1-17-8-2-3-9-10-4-5-14-12(7-16)13(10)15-11(9)6-8/h2-3,6,15-16H,4-5,7H2,1H3
InChIKeyOPLZSVSXSCYBAK-UHFFFAOYSA-N
XLogP1.51
TPSA57.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propyl]-4,9-dihydro-3H-pyrido[3,4-b]indole
CID 155780424
5-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)pentan-1-ol
CID 170981972
2-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)acetic acid
CID 137177310
7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-2-(2,4,5-trifluorophenyl)propyl]-4,9-dihydro-3H-pyrido[3,4-b]indole
CID 162706973
1-[2-(4-fluorophenyl)-3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propyl]-7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indole
CID 162706966
2-[(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)methyl]-4,6-dimethyl-3-propan-2-ylphenol
CID 164976882
1-[2-[2-[(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)methyl]phenyl]ethyl]-7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole
CID 163447197
1-[2-(3-fluorophenyl)-3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propyl]-7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indole
CID 162706986
4-[1,3-bis(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propan-2-yl]benzaldehyde
CID 162706967
2-(6-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)acetamide
CID 136594970
7-methoxy-1-[(Z)-2-phenylethenyl]-4,9-dihydro-3H-pyrido[3,4-b]indole
CID 162706982
7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-2-(4-methoxy-3-phenoxyphenyl)propyl]-4,9-dihydro-3H-pyrido[3,4-b]indole
CID 166963842

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)methanol?
The IUPAC name of (7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)methanol (CID 137258618) is (7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)methanol.
What is the SMILES notation for (7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)methanol?
The canonical SMILES for (7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)methanol is COc1ccc2c3c([nH]c2c1)C(CO)=NCC3.
What is the InChIKey of (7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)methanol?
The InChIKey is OPLZSVSXSCYBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-17-8-2-3-9-10-4-5-14-12(7-16)13(10)15-11(9)6-8/h2-3,6,15-16H,4-5,7H2,1H3.
What are the key properties of (7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)methanol?
(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)methanol has a molecular weight of 230.27 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)methanol is sourced from PubChem (CID 137258618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).