6-methoxy-2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole

C14H18N2O — CID 71436480

IUPAC6-methoxy-2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole
SMILESCOc1ccc2c(c1)c1c(n2C)CN(C)CC1
InChIInChI=1S/C14H18N2O/c1-15-7-6-11-12-8-10(17-3)4-5-13(12)16(2)14(11)9-15/h4-5,8H,6-7,9H2,1-3H3
InChIKeyPPHSZOCDZFXNPQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.17
Rot. Bonds1

About 6-methoxy-2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole

6-methoxy-2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole (PubChem CID 71436480) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 6-methoxy-2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name6-methoxy-2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole
PubChem CID71436480
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name6-methoxy-2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole
SMILESCOc1ccc2c(c1)c1c(n2C)CN(C)CC1
InChIInChI=1S/C14H18N2O/c1-15-7-6-11-12-8-10(17-3)4-5-13(12)16(2)14(11)9-15/h4-5,8H,6-7,9H2,1-3H3
InChIKeyPPHSZOCDZFXNPQ-UHFFFAOYSA-N
XLogP2.17
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole?
The IUPAC name of 6-methoxy-2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole (CID 71436480) is 6-methoxy-2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole.
What is the SMILES notation for 6-methoxy-2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole?
The canonical SMILES for 6-methoxy-2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole is COc1ccc2c(c1)c1c(n2C)CN(C)CC1.
What is the InChIKey of 6-methoxy-2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole?
The InChIKey is PPHSZOCDZFXNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-15-7-6-11-12-8-10(17-3)4-5-13(12)16(2)14(11)9-15/h4-5,8H,6-7,9H2,1-3H3.
What are the key properties of 6-methoxy-2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole?
6-methoxy-2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole has a molecular weight of 230.31 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole is sourced from PubChem (CID 71436480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).