6-chloro-2-propyl-1,3,4,5-tetrahydropyrido[4,3-b]indole

C14H17ClN2 — CID 65335339

IUPAC6-chloro-2-propyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
SMILESCCCN1CCc2[nH]c3c(Cl)cccc3c2C1
InChIInChI=1S/C14H17ClN2/c1-2-7-17-8-6-13-11(9-17)10-4-3-5-12(15)14(10)16-13/h3-5,16H,2,6-9H2,1H3
InChIKeyWLPRAADHILRGIL-UHFFFAOYSA-N
MW248.76 g/mol
LogP3.59
Rot. Bonds2

About 6-chloro-2-propyl-1,3,4,5-tetrahydropyrido[4,3-b]indole

6-chloro-2-propyl-1,3,4,5-tetrahydropyrido[4,3-b]indole (PubChem CID 65335339) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is 6-chloro-2-propyl-1,3,4,5-tetrahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name6-chloro-2-propyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
PubChem CID65335339
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name6-chloro-2-propyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
SMILESCCCN1CCc2[nH]c3c(Cl)cccc3c2C1
InChIInChI=1S/C14H17ClN2/c1-2-7-17-8-6-13-11(9-17)10-4-3-5-12(15)14(10)16-13/h3-5,16H,2,6-9H2,1H3
InChIKeyWLPRAADHILRGIL-UHFFFAOYSA-N
XLogP3.59
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 53.59
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 6-chloro-2-propyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The IUPAC name of 6-chloro-2-propyl-1,3,4,5-tetrahydropyrido[4,3-b]indole (CID 65335339) is 6-chloro-2-propyl-1,3,4,5-tetrahydropyrido[4,3-b]indole.
What is the SMILES notation for 6-chloro-2-propyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The canonical SMILES for 6-chloro-2-propyl-1,3,4,5-tetrahydropyrido[4,3-b]indole is CCCN1CCc2[nH]c3c(Cl)cccc3c2C1.
What is the InChIKey of 6-chloro-2-propyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The InChIKey is WLPRAADHILRGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c1-2-7-17-8-6-13-11(9-17)10-4-3-5-12(15)14(10)16-13/h3-5,16H,2,6-9H2,1H3.
What are the key properties of 6-chloro-2-propyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
6-chloro-2-propyl-1,3,4,5-tetrahydropyrido[4,3-b]indole has a molecular weight of 248.76 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-propyl-1,3,4,5-tetrahydropyrido[4,3-b]indole is sourced from PubChem (CID 65335339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).