1-(4-fluorophenyl)-6-methoxy-9H-pyrido[3,4-b]indole

C18H13FN2O — CID 134134625

IUPAC1-(4-fluorophenyl)-6-methoxy-9H-pyrido[3,4-b]indole
SMILESCOc1ccc2[nH]c3c(-c4ccc(F)cc4)nccc3c2c1
InChIInChI=1S/C18H13FN2O/c1-22-13-6-7-16-15(10-13)14-8-9-20-17(18(14)21-16)11-2-4-12(19)5-3-11/h2-10,21H,1H3
InChIKeyAQWAZPMZAHDMOY-UHFFFAOYSA-N
MW292.31 g/mol
LogP4.53
Rot. Bonds2

About 1-(4-fluorophenyl)-6-methoxy-9H-pyrido[3,4-b]indole

1-(4-fluorophenyl)-6-methoxy-9H-pyrido[3,4-b]indole (PubChem CID 134134625) has the molecular formula C18H13FN2O and a molecular weight of 292.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-methoxy-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-methoxy-9H-pyrido[3,4-b]indole
PubChem CID134134625
Molecular FormulaC18H13FN2O
Molecular Weight292.31 g/mol
Exact Mass292.10
IUPAC Name1-(4-fluorophenyl)-6-methoxy-9H-pyrido[3,4-b]indole
SMILESCOc1ccc2[nH]c3c(-c4ccc(F)cc4)nccc3c2c1
InChIInChI=1S/C18H13FN2O/c1-22-13-6-7-16-15(10-13)14-8-9-20-17(18(14)21-16)11-2-4-12(19)5-3-11/h2-10,21H,1H3
InChIKeyAQWAZPMZAHDMOY-UHFFFAOYSA-N
XLogP4.53
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6-methoxy-9H-pyrido[3,4-b]indole?
The IUPAC name of 1-(4-fluorophenyl)-6-methoxy-9H-pyrido[3,4-b]indole (CID 134134625) is 1-(4-fluorophenyl)-6-methoxy-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 1-(4-fluorophenyl)-6-methoxy-9H-pyrido[3,4-b]indole?
The canonical SMILES for 1-(4-fluorophenyl)-6-methoxy-9H-pyrido[3,4-b]indole is COc1ccc2[nH]c3c(-c4ccc(F)cc4)nccc3c2c1.
What is the InChIKey of 1-(4-fluorophenyl)-6-methoxy-9H-pyrido[3,4-b]indole?
The InChIKey is AQWAZPMZAHDMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O/c1-22-13-6-7-16-15(10-13)14-8-9-20-17(18(14)21-16)11-2-4-12(19)5-3-11/h2-10,21H,1H3.
What are the key properties of 1-(4-fluorophenyl)-6-methoxy-9H-pyrido[3,4-b]indole?
1-(4-fluorophenyl)-6-methoxy-9H-pyrido[3,4-b]indole has a molecular weight of 292.31 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6-methoxy-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 134134625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).