3-methoxy-9-(methoxymethyl)-1-methylpyrido[3,4-b]indole

C15H16N2O2 — CID 135060306

IUPAC3-methoxy-9-(methoxymethyl)-1-methylpyrido[3,4-b]indole
SMILESCOCn1c2ccccc2c2cc(OC)nc(C)c21
InChIInChI=1S/C15H16N2O2/c1-10-15-12(8-14(16-10)19-3)11-6-4-5-7-13(11)17(15)9-18-2/h4-8H,9H2,1-3H3
InChIKeyBNIOJRQOIMUZSI-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.11
Rot. Bonds3

About 3-methoxy-9-(methoxymethyl)-1-methylpyrido[3,4-b]indole

3-methoxy-9-(methoxymethyl)-1-methylpyrido[3,4-b]indole (PubChem CID 135060306) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-methoxy-9-(methoxymethyl)-1-methylpyrido[3,4-b]indole.

Molecular Properties

Compound Name3-methoxy-9-(methoxymethyl)-1-methylpyrido[3,4-b]indole
PubChem CID135060306
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name3-methoxy-9-(methoxymethyl)-1-methylpyrido[3,4-b]indole
SMILESCOCn1c2ccccc2c2cc(OC)nc(C)c21
InChIInChI=1S/C15H16N2O2/c1-10-15-12(8-14(16-10)19-3)11-6-4-5-7-13(11)17(15)9-18-2/h4-8H,9H2,1-3H3
InChIKeyBNIOJRQOIMUZSI-UHFFFAOYSA-N
XLogP3.11
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-9-(methoxymethyl)-1-methylpyrido[3,4-b]indole?
The IUPAC name of 3-methoxy-9-(methoxymethyl)-1-methylpyrido[3,4-b]indole (CID 135060306) is 3-methoxy-9-(methoxymethyl)-1-methylpyrido[3,4-b]indole.
What is the SMILES notation for 3-methoxy-9-(methoxymethyl)-1-methylpyrido[3,4-b]indole?
The canonical SMILES for 3-methoxy-9-(methoxymethyl)-1-methylpyrido[3,4-b]indole is COCn1c2ccccc2c2cc(OC)nc(C)c21.
What is the InChIKey of 3-methoxy-9-(methoxymethyl)-1-methylpyrido[3,4-b]indole?
The InChIKey is BNIOJRQOIMUZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10-15-12(8-14(16-10)19-3)11-6-4-5-7-13(11)17(15)9-18-2/h4-8H,9H2,1-3H3.
What are the key properties of 3-methoxy-9-(methoxymethyl)-1-methylpyrido[3,4-b]indole?
3-methoxy-9-(methoxymethyl)-1-methylpyrido[3,4-b]indole has a molecular weight of 256.30 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-9-(methoxymethyl)-1-methylpyrido[3,4-b]indole is sourced from PubChem (CID 135060306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).