6-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole;hydrochloride

C13H15ClN2O — CID 135534458

IUPAC6-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole;hydrochloride
SMILESCOc1ccc2[nH]c3c(c2c1)CCN=C3C.Cl
InChIInChI=1S/C13H14N2O.ClH/c1-8-13-10(5-6-14-8)11-7-9(16-2)3-4-12(11)15-13;/h3-4,7,15H,5-6H2,1-2H3;1H
InChIKeyHCANWOZKXOUBFV-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.96
Rot. Bonds1

About 6-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole;hydrochloride

6-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole;hydrochloride (PubChem CID 135534458) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 6-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole;hydrochloride.

Molecular Properties

Compound Name6-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole;hydrochloride
PubChem CID135534458
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name6-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole;hydrochloride
SMILESCOc1ccc2[nH]c3c(c2c1)CCN=C3C.Cl
InChIInChI=1S/C13H14N2O.ClH/c1-8-13-10(5-6-14-8)11-7-9(16-2)3-4-12(11)15-13;/h3-4,7,15H,5-6H2,1-2H3;1H
InChIKeyHCANWOZKXOUBFV-UHFFFAOYSA-N
XLogP2.96
TPSA37.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(6-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)acetamide
CID 136594970
6-methoxy-1,2-dimethyl-4,9-dihydro-3H-pyrido[3,4-b]indol-2-ium
CID 102446924
2-methoxy-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one
CID 12673419
CID 131885395
CID 131885395
(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)methanol
CID 137258618
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
8-methoxy-6,11-dihydro-5H-benzo[a]carbazol-4-ol
CID 121005504
3-methoxy-8-methyl-6,11-dihydro-5H-benzo[a]carbazole
CID 54511080
7-methoxy-3-nitroso-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 54166241
7-methoxy-1-[(Z)-2-phenylethenyl]-4,9-dihydro-3H-pyrido[3,4-b]indole
CID 162706982
2-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)acetic acid
CID 137177310
methane;7-methoxy-3-phenyl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole
CID 159066402

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole;hydrochloride?
The IUPAC name of 6-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole;hydrochloride (CID 135534458) is 6-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole;hydrochloride.
What is the SMILES notation for 6-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole;hydrochloride?
The canonical SMILES for 6-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole;hydrochloride is COc1ccc2[nH]c3c(c2c1)CCN=C3C.Cl.
What is the InChIKey of 6-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole;hydrochloride?
The InChIKey is HCANWOZKXOUBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O.ClH/c1-8-13-10(5-6-14-8)11-7-9(16-2)3-4-12(11)15-13;/h3-4,7,15H,5-6H2,1-2H3;1H.
What are the key properties of 6-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole;hydrochloride?
6-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole;hydrochloride has a molecular weight of 250.73 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole;hydrochloride is sourced from PubChem (CID 135534458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).