3-propoxy-9H-pyrido[3,4-b]indole

C14H14N2O — CID 4713437

IUPAC3-propoxy-9H-pyrido[3,4-b]indole
SMILESCCCOc1cc2c(cn1)[nH]c1ccccc12
InChIInChI=1S/C14H14N2O/c1-2-7-17-14-8-11-10-5-3-4-6-12(10)16-13(11)9-15-14/h3-6,8-9,16H,2,7H2,1H3
InChIKeyLPAODQAWVMEXKR-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.50
Rot. Bonds3

About 3-propoxy-9H-pyrido[3,4-b]indole

3-propoxy-9H-pyrido[3,4-b]indole (PubChem CID 4713437) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-propoxy-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name3-propoxy-9H-pyrido[3,4-b]indole
PubChem CID4713437
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name3-propoxy-9H-pyrido[3,4-b]indole
SMILESCCCOc1cc2c(cn1)[nH]c1ccccc12
InChIInChI=1S/C14H14N2O/c1-2-7-17-14-8-11-10-5-3-4-6-12(10)16-13(11)9-15-14/h3-6,8-9,16H,2,7H2,1H3
InChIKeyLPAODQAWVMEXKR-UHFFFAOYSA-N
XLogP3.50
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propoxy-9H-pyrido[3,4-b]indole?
The IUPAC name of 3-propoxy-9H-pyrido[3,4-b]indole (CID 4713437) is 3-propoxy-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 3-propoxy-9H-pyrido[3,4-b]indole?
The canonical SMILES for 3-propoxy-9H-pyrido[3,4-b]indole is CCCOc1cc2c(cn1)[nH]c1ccccc12.
What is the InChIKey of 3-propoxy-9H-pyrido[3,4-b]indole?
The InChIKey is LPAODQAWVMEXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-2-7-17-14-8-11-10-5-3-4-6-12(10)16-13(11)9-15-14/h3-6,8-9,16H,2,7H2,1H3.
What are the key properties of 3-propoxy-9H-pyrido[3,4-b]indole?
3-propoxy-9H-pyrido[3,4-b]indole has a molecular weight of 226.28 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxy-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 4713437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).