4-phenylmethoxy-1-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2-one

C23H21N3O2 — CID 52942456

IUPAC4-phenylmethoxy-1-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2-one
SMILESO=c1cc(OCc2ccccc2)ccn1-c1ccc2c3c([nH]c2c1)CCNC3
InChIInChI=1S/C23H21N3O2/c27-23-13-18(28-15-16-4-2-1-3-5-16)9-11-26(23)17-6-7-19-20-14-24-10-8-21(20)25-22(19)12-17/h1-7,9,11-13,24-25H,8,10,14-15H2
InChIKeyNISSGJHPJFKJDG-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.54
Rot. Bonds4

About 4-phenylmethoxy-1-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2-one

4-phenylmethoxy-1-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2-one (PubChem CID 52942456) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 4-phenylmethoxy-1-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2-one.

Molecular Properties

Compound Name4-phenylmethoxy-1-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2-one
PubChem CID52942456
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name4-phenylmethoxy-1-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2-one
SMILESO=c1cc(OCc2ccccc2)ccn1-c1ccc2c3c([nH]c2c1)CCNC3
InChIInChI=1S/C23H21N3O2/c27-23-13-18(28-15-16-4-2-1-3-5-16)9-11-26(23)17-6-7-19-20-14-24-10-8-21(20)25-22(19)12-17/h1-7,9,11-13,24-25H,8,10,14-15H2
InChIKeyNISSGJHPJFKJDG-UHFFFAOYSA-N
XLogP3.54
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-phenylmethoxy-1-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2-one?
The IUPAC name of 4-phenylmethoxy-1-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2-one (CID 52942456) is 4-phenylmethoxy-1-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2-one.
What is the SMILES notation for 4-phenylmethoxy-1-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2-one?
The canonical SMILES for 4-phenylmethoxy-1-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2-one is O=c1cc(OCc2ccccc2)ccn1-c1ccc2c3c([nH]c2c1)CCNC3.
What is the InChIKey of 4-phenylmethoxy-1-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2-one?
The InChIKey is NISSGJHPJFKJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c27-23-13-18(28-15-16-4-2-1-3-5-16)9-11-26(23)17-6-7-19-20-14-24-10-8-21(20)25-22(19)12-17/h1-7,9,11-13,24-25H,8,10,14-15H2.
What are the key properties of 4-phenylmethoxy-1-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2-one?
4-phenylmethoxy-1-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2-one has a molecular weight of 371.44 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-1-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2-one is sourced from PubChem (CID 52942456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).