1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one

C24H23N3O2 — CID 50908737

IUPAC1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one
SMILESCn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CCNC2
InChIInChI=1S/C24H23N3O2/c1-26-22-13-18(7-8-20(22)21-9-11-25-15-23(21)26)27-12-10-19(14-24(27)28)29-16-17-5-3-2-4-6-17/h2-8,10,12-14,25H,9,11,15-16H2,1H3
InChIKeyZXGHIZDLSIWWGJ-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.55
Rot. Bonds4

About 1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one

1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one (PubChem CID 50908737) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one
PubChem CID50908737
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one
SMILESCn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CCNC2
InChIInChI=1S/C24H23N3O2/c1-26-22-13-18(7-8-20(22)21-9-11-25-15-23(21)26)27-12-10-19(14-24(27)28)29-16-17-5-3-2-4-6-17/h2-8,10,12-14,25H,9,11,15-16H2,1H3
InChIKeyZXGHIZDLSIWWGJ-UHFFFAOYSA-N
XLogP3.55
TPSA48.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one (CID 50908737) is 1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one is Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CCNC2.
What is the InChIKey of 1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one?
The InChIKey is ZXGHIZDLSIWWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-26-22-13-18(7-8-20(22)21-9-11-25-15-23(21)26)27-12-10-19(14-24(27)28)29-16-17-5-3-2-4-6-17/h2-8,10,12-14,25H,9,11,15-16H2,1H3.
What are the key properties of 1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one?
1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one has a molecular weight of 385.47 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 50908737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).