4-methoxy-1-methyl-9H-pyrido[3,4-b]indole

C13H12N2O — CID 11481274

IUPAC4-methoxy-1-methyl-9H-pyrido[3,4-b]indole
SMILESCOc1cnc(C)c2[nH]c3ccccc3c12
InChIInChI=1S/C13H12N2O/c1-8-13-12(11(16-2)7-14-8)9-5-3-4-6-10(9)15-13/h3-7,15H,1-2H3
InChIKeyKYXCDOJUFJKHSO-UHFFFAOYSA-N
MW212.25 g/mol
LogP3.03
Rot. Bonds1

About 4-methoxy-1-methyl-9H-pyrido[3,4-b]indole

4-methoxy-1-methyl-9H-pyrido[3,4-b]indole (PubChem CID 11481274) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-methoxy-1-methyl-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name4-methoxy-1-methyl-9H-pyrido[3,4-b]indole
PubChem CID11481274
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name4-methoxy-1-methyl-9H-pyrido[3,4-b]indole
SMILESCOc1cnc(C)c2[nH]c3ccccc3c12
InChIInChI=1S/C13H12N2O/c1-8-13-12(11(16-2)7-14-8)9-5-3-4-6-10(9)15-13/h3-7,15H,1-2H3
InChIKeyKYXCDOJUFJKHSO-UHFFFAOYSA-N
XLogP3.03
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-methyl-9H-pyrido[3,4-b]indol-4-yl)but-3-yn-1-amine
CID 166440973
(E)-N-methyl-4-(1-methyl-9H-pyrido[3,4-b]indol-4-yl)but-3-en-1-amine
CID 175664989
(2S)-2-methoxy-1-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)-4-(9H-pyrido[3,4-b]indol-1-yl)butane-1,4-dione
CID 171345741
methyl 4-methyl-5H-pyrido[4,3-b]indole-1-carboxylate
CID 13351962
3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 102175677
3,4-dideuterio-1-methyl-9H-pyrido[3,4-b]indole
CID 162640414
4-methoxy-9H-pyrido[3,4-b]indol-8-ol
CID 10798670
1-methoxy-9H-carbazole;oxirane
CID 175234481
4-methoxy-9H-carbazol-2-ol
CID 102507386
4-methoxy-3-methyl-9H-carbazole
CID 169091963
4-methoxy-1,2-dimethyl-9H-pyrido[3,4-b]indol-2-ium;4-methylbenzenesulfonate
CID 11429438
6-methoxy-5H-pyrido[4,3-b]indole
CID 91665960

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-methyl-9H-pyrido[3,4-b]indole?
The IUPAC name of 4-methoxy-1-methyl-9H-pyrido[3,4-b]indole (CID 11481274) is 4-methoxy-1-methyl-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 4-methoxy-1-methyl-9H-pyrido[3,4-b]indole?
The canonical SMILES for 4-methoxy-1-methyl-9H-pyrido[3,4-b]indole is COc1cnc(C)c2[nH]c3ccccc3c12.
What is the InChIKey of 4-methoxy-1-methyl-9H-pyrido[3,4-b]indole?
The InChIKey is KYXCDOJUFJKHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-8-13-12(11(16-2)7-14-8)9-5-3-4-6-10(9)15-13/h3-7,15H,1-2H3.
What are the key properties of 4-methoxy-1-methyl-9H-pyrido[3,4-b]indole?
4-methoxy-1-methyl-9H-pyrido[3,4-b]indole has a molecular weight of 212.25 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methyl-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 11481274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).