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

C18H16N2O2 — CID 563298

IUPAC6-phenylmethoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
SMILESO=C1NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21
InChIInChI=1S/C18H16N2O2/c21-18-17-14(8-9-19-18)15-10-13(6-7-16(15)20-17)22-11-12-4-2-1-3-5-12/h1-7,10,20H,8-9,11H2,(H,19,21)
InChIKeyGFULUZWYBKHEKQ-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.03
Rot. Bonds3

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

6-phenylmethoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one (PubChem CID 563298) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 6-phenylmethoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one.

Molecular Properties

Compound Name6-phenylmethoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
PubChem CID563298
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name6-phenylmethoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
SMILESO=C1NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21
InChIInChI=1S/C18H16N2O2/c21-18-17-14(8-9-19-18)15-10-13(6-7-16(15)20-17)22-11-12-4-2-1-3-5-12/h1-7,10,20H,8-9,11H2,(H,19,21)
InChIKeyGFULUZWYBKHEKQ-UHFFFAOYSA-N
XLogP3.03
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.03
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 6-phenylmethoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one?
The IUPAC name of 6-phenylmethoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one (CID 563298) is 6-phenylmethoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one.
What is the SMILES notation for 6-phenylmethoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one?
The canonical SMILES for 6-phenylmethoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one is O=C1NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21.
What is the InChIKey of 6-phenylmethoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one?
The InChIKey is GFULUZWYBKHEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c21-18-17-14(8-9-19-18)15-10-13(6-7-16(15)20-17)22-11-12-4-2-1-3-5-12/h1-7,10,20H,8-9,11H2,(H,19,21).
What are the key properties of 6-phenylmethoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one?
6-phenylmethoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one has a molecular weight of 292.34 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one is sourced from PubChem (CID 563298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).