6-[[1-[(E)-3-(4-chlorophenyl)prop-2-enyl]triazol-4-yl]methoxy]-1-methyl-9H-pyrido[3,4-b]indole

C24H20ClN5O — CID 164618733

IUPAC6-[[1-[(E)-3-(4-chlorophenyl)prop-2-enyl]triazol-4-yl]methoxy]-1-methyl-9H-pyrido[3,4-b]indole
SMILESCc1nccc2c1[nH]c1ccc(OCc3cn(C/C=C/c4ccc(Cl)cc4)nn3)cc12
InChIInChI=1S/C24H20ClN5O/c1-16-24-21(10-11-26-16)22-13-20(8-9-23(22)27-24)31-15-19-14-30(29-28-19)12-2-3-17-4-6-18(25)7-5-17/h2-11,13-14,27H,12,15H2,1H3/b3-2+
InChIKeyMYYXRGRJAOKZGU-NSCUHMNNSA-N
MW429.91 g/mol
LogP5.56
Rot. Bonds6

About 6-[[1-[(E)-3-(4-chlorophenyl)prop-2-enyl]triazol-4-yl]methoxy]-1-methyl-9H-pyrido[3,4-b]indole

6-[[1-[(E)-3-(4-chlorophenyl)prop-2-enyl]triazol-4-yl]methoxy]-1-methyl-9H-pyrido[3,4-b]indole (PubChem CID 164618733) has the molecular formula C24H20ClN5O and a molecular weight of 429.91 g/mol. Its IUPAC name is 6-[[1-[(E)-3-(4-chlorophenyl)prop-2-enyl]triazol-4-yl]methoxy]-1-methyl-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name6-[[1-[(E)-3-(4-chlorophenyl)prop-2-enyl]triazol-4-yl]methoxy]-1-methyl-9H-pyrido[3,4-b]indole
PubChem CID164618733
Molecular FormulaC24H20ClN5O
Molecular Weight429.91 g/mol
Exact Mass429.14
IUPAC Name6-[[1-[(E)-3-(4-chlorophenyl)prop-2-enyl]triazol-4-yl]methoxy]-1-methyl-9H-pyrido[3,4-b]indole
SMILESCc1nccc2c1[nH]c1ccc(OCc3cn(C/C=C/c4ccc(Cl)cc4)nn3)cc12
InChIInChI=1S/C24H20ClN5O/c1-16-24-21(10-11-26-16)22-13-20(8-9-23(22)27-24)31-15-19-14-30(29-28-19)12-2-3-17-4-6-18(25)7-5-17/h2-11,13-14,27H,12,15H2,1H3/b3-2+
InChIKeyMYYXRGRJAOKZGU-NSCUHMNNSA-N
XLogP5.56
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.91
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[[1-[(E)-3-(4-chlorophenyl)prop-2-enyl]triazol-4-yl]methoxy]-1-methyl-9H-pyrido[3,4-b]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[1-[(E)-3-(4-chlorophenyl)prop-2-enyl]triazol-4-yl]methoxy]-1-methyl-9H-pyrido[3,4-b]indole?
The IUPAC name of 6-[[1-[(E)-3-(4-chlorophenyl)prop-2-enyl]triazol-4-yl]methoxy]-1-methyl-9H-pyrido[3,4-b]indole (CID 164618733) is 6-[[1-[(E)-3-(4-chlorophenyl)prop-2-enyl]triazol-4-yl]methoxy]-1-methyl-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 6-[[1-[(E)-3-(4-chlorophenyl)prop-2-enyl]triazol-4-yl]methoxy]-1-methyl-9H-pyrido[3,4-b]indole?
The canonical SMILES for 6-[[1-[(E)-3-(4-chlorophenyl)prop-2-enyl]triazol-4-yl]methoxy]-1-methyl-9H-pyrido[3,4-b]indole is Cc1nccc2c1[nH]c1ccc(OCc3cn(C/C=C/c4ccc(Cl)cc4)nn3)cc12.
What is the InChIKey of 6-[[1-[(E)-3-(4-chlorophenyl)prop-2-enyl]triazol-4-yl]methoxy]-1-methyl-9H-pyrido[3,4-b]indole?
The InChIKey is MYYXRGRJAOKZGU-NSCUHMNNSA-N. The full InChI is InChI=1S/C24H20ClN5O/c1-16-24-21(10-11-26-16)22-13-20(8-9-23(22)27-24)31-15-19-14-30(29-28-19)12-2-3-17-4-6-18(25)7-5-17/h2-11,13-14,27H,12,15H2,1H3/b3-2+.
What are the key properties of 6-[[1-[(E)-3-(4-chlorophenyl)prop-2-enyl]triazol-4-yl]methoxy]-1-methyl-9H-pyrido[3,4-b]indole?
6-[[1-[(E)-3-(4-chlorophenyl)prop-2-enyl]triazol-4-yl]methoxy]-1-methyl-9H-pyrido[3,4-b]indole has a molecular weight of 429.91 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-[(E)-3-(4-chlorophenyl)prop-2-enyl]triazol-4-yl]methoxy]-1-methyl-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 164618733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).