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

C23H20ClN3O — CID 52942795

IUPAC4-(4-chlorophenyl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one
SMILESCn1c2c(c3ccc(-n4ccc(-c5ccc(Cl)cc5)cc4=O)cc31)CCNC2
InChIInChI=1S/C23H20ClN3O/c1-26-21-13-18(6-7-19(21)20-8-10-25-14-22(20)26)27-11-9-16(12-23(27)28)15-2-4-17(24)5-3-15/h2-7,9,11-13,25H,8,10,14H2,1H3
InChIKeyUGLZLXCRIVBPML-UHFFFAOYSA-N
MW389.89 g/mol
LogP4.30
Rot. Bonds2

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

4-(4-chlorophenyl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one (PubChem CID 52942795) has the molecular formula C23H20ClN3O and a molecular weight of 389.89 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one
PubChem CID52942795
Molecular FormulaC23H20ClN3O
Molecular Weight389.89 g/mol
Exact Mass389.13
IUPAC Name4-(4-chlorophenyl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one
SMILESCn1c2c(c3ccc(-n4ccc(-c5ccc(Cl)cc5)cc4=O)cc31)CCNC2
InChIInChI=1S/C23H20ClN3O/c1-26-21-13-18(6-7-19(21)20-8-10-25-14-22(20)26)27-11-9-16(12-23(27)28)15-2-4-17(24)5-3-15/h2-7,9,11-13,25H,8,10,14H2,1H3
InChIKeyUGLZLXCRIVBPML-UHFFFAOYSA-N
XLogP4.30
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 54.30
H-Bond Donors ≤ 51
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-(4-chlorophenyl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one?
The IUPAC name of 4-(4-chlorophenyl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one (CID 52942795) is 4-(4-chlorophenyl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one.
What is the SMILES notation for 4-(4-chlorophenyl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one?
The canonical SMILES for 4-(4-chlorophenyl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one is Cn1c2c(c3ccc(-n4ccc(-c5ccc(Cl)cc5)cc4=O)cc31)CCNC2.
What is the InChIKey of 4-(4-chlorophenyl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one?
The InChIKey is UGLZLXCRIVBPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O/c1-26-21-13-18(6-7-19(21)20-8-10-25-14-22(20)26)27-11-9-16(12-23(27)28)15-2-4-17(24)5-3-15/h2-7,9,11-13,25H,8,10,14H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one?
4-(4-chlorophenyl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one has a molecular weight of 389.89 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one is sourced from PubChem (CID 52942795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).