7-methyl-6-phenylmethoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one

C19H18N2O2 — CID 16739288

IUPAC7-methyl-6-phenylmethoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
SMILESCc1cc2[nH]c3c(c2cc1OCc1ccccc1)CCNC3=O
InChIInChI=1S/C19H18N2O2/c1-12-9-16-15(14-7-8-20-19(22)18(14)21-16)10-17(12)23-11-13-5-3-2-4-6-13/h2-6,9-10,21H,7-8,11H2,1H3,(H,20,22)
InChIKeyDYTMNPUOZGPWQA-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.34
Rot. Bonds3

About 7-methyl-6-phenylmethoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one

7-methyl-6-phenylmethoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one (PubChem CID 16739288) has the molecular formula C19H18N2O2 and a molecular weight of 306.36 g/mol. Its IUPAC name is 7-methyl-6-phenylmethoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one.

Molecular Properties

Compound Name7-methyl-6-phenylmethoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
PubChem CID16739288
Molecular FormulaC19H18N2O2
Molecular Weight306.36 g/mol
Exact Mass306.14
IUPAC Name7-methyl-6-phenylmethoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
SMILESCc1cc2[nH]c3c(c2cc1OCc1ccccc1)CCNC3=O
InChIInChI=1S/C19H18N2O2/c1-12-9-16-15(14-7-8-20-19(22)18(14)21-16)10-17(12)23-11-13-5-3-2-4-6-13/h2-6,9-10,21H,7-8,11H2,1H3,(H,20,22)
InChIKeyDYTMNPUOZGPWQA-UHFFFAOYSA-N
XLogP3.34
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 7-methyl-6-phenylmethoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one?
The IUPAC name of 7-methyl-6-phenylmethoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one (CID 16739288) is 7-methyl-6-phenylmethoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one.
What is the SMILES notation for 7-methyl-6-phenylmethoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one?
The canonical SMILES for 7-methyl-6-phenylmethoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one is Cc1cc2[nH]c3c(c2cc1OCc1ccccc1)CCNC3=O.
What is the InChIKey of 7-methyl-6-phenylmethoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one?
The InChIKey is DYTMNPUOZGPWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-12-9-16-15(14-7-8-20-19(22)18(14)21-16)10-17(12)23-11-13-5-3-2-4-6-13/h2-6,9-10,21H,7-8,11H2,1H3,(H,20,22).
What are the key properties of 7-methyl-6-phenylmethoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one?
7-methyl-6-phenylmethoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one has a molecular weight of 306.36 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-phenylmethoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one is sourced from PubChem (CID 16739288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).