1-(4-chlorophenyl)-4,9-dihydro-3H-pyrido[3,4-b]indole

C17H13ClN2 — CID 11242982

IUPAC1-(4-chlorophenyl)-4,9-dihydro-3H-pyrido[3,4-b]indole
SMILESClc1ccc(C2=NCCc3c2[nH]c2ccccc32)cc1
InChIInChI=1S/C17H13ClN2/c18-12-7-5-11(6-8-12)16-17-14(9-10-19-16)13-3-1-2-4-15(13)20-17/h1-8,20H,9-10H2
InChIKeyZRDNLLAUBQMZOQ-UHFFFAOYSA-N
MW280.76 g/mol
LogP4.21
Rot. Bonds1

About 1-(4-chlorophenyl)-4,9-dihydro-3H-pyrido[3,4-b]indole

1-(4-chlorophenyl)-4,9-dihydro-3H-pyrido[3,4-b]indole (PubChem CID 11242982) has the molecular formula C17H13ClN2 and a molecular weight of 280.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4,9-dihydro-3H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4,9-dihydro-3H-pyrido[3,4-b]indole
PubChem CID11242982
Molecular FormulaC17H13ClN2
Molecular Weight280.76 g/mol
Exact Mass280.08
IUPAC Name1-(4-chlorophenyl)-4,9-dihydro-3H-pyrido[3,4-b]indole
SMILESClc1ccc(C2=NCCc3c2[nH]c2ccccc32)cc1
InChIInChI=1S/C17H13ClN2/c18-12-7-5-11(6-8-12)16-17-14(9-10-19-16)13-3-1-2-4-15(13)20-17/h1-8,20H,9-10H2
InChIKeyZRDNLLAUBQMZOQ-UHFFFAOYSA-N
XLogP4.21
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(4-chlorophenyl)-4,9-dihydro-3H-pyrido[3,4-b]indole?
The IUPAC name of 1-(4-chlorophenyl)-4,9-dihydro-3H-pyrido[3,4-b]indole (CID 11242982) is 1-(4-chlorophenyl)-4,9-dihydro-3H-pyrido[3,4-b]indole.
What is the SMILES notation for 1-(4-chlorophenyl)-4,9-dihydro-3H-pyrido[3,4-b]indole?
The canonical SMILES for 1-(4-chlorophenyl)-4,9-dihydro-3H-pyrido[3,4-b]indole is Clc1ccc(C2=NCCc3c2[nH]c2ccccc32)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4,9-dihydro-3H-pyrido[3,4-b]indole?
The InChIKey is ZRDNLLAUBQMZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2/c18-12-7-5-11(6-8-12)16-17-14(9-10-19-16)13-3-1-2-4-15(13)20-17/h1-8,20H,9-10H2.
What are the key properties of 1-(4-chlorophenyl)-4,9-dihydro-3H-pyrido[3,4-b]indole?
1-(4-chlorophenyl)-4,9-dihydro-3H-pyrido[3,4-b]indole has a molecular weight of 280.76 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4,9-dihydro-3H-pyrido[3,4-b]indole is sourced from PubChem (CID 11242982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).