4-(2-fluorophenyl)-N-(oxan-4-yl)-9H-pyrido[3,4-b]indol-7-amine

C22H20FN3O — CID 67994935

IUPAC4-(2-fluorophenyl)-N-(oxan-4-yl)-9H-pyrido[3,4-b]indol-7-amine
SMILESFc1ccccc1-c1cncc2[nH]c3cc(NC4CCOCC4)ccc3c12
InChIInChI=1S/C22H20FN3O/c23-19-4-2-1-3-16(19)18-12-24-13-21-22(18)17-6-5-15(11-20(17)26-21)25-14-7-9-27-10-8-14/h1-6,11-14,25-26H,7-10H2
InChIKeyGLHVXFOAZDPDMC-UHFFFAOYSA-N
MW361.42 g/mol
LogP5.11
Rot. Bonds3

About 4-(2-fluorophenyl)-N-(oxan-4-yl)-9H-pyrido[3,4-b]indol-7-amine

4-(2-fluorophenyl)-N-(oxan-4-yl)-9H-pyrido[3,4-b]indol-7-amine (PubChem CID 67994935) has the molecular formula C22H20FN3O and a molecular weight of 361.42 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N-(oxan-4-yl)-9H-pyrido[3,4-b]indol-7-amine.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N-(oxan-4-yl)-9H-pyrido[3,4-b]indol-7-amine
PubChem CID67994935
Molecular FormulaC22H20FN3O
Molecular Weight361.42 g/mol
Exact Mass361.16
IUPAC Name4-(2-fluorophenyl)-N-(oxan-4-yl)-9H-pyrido[3,4-b]indol-7-amine
SMILESFc1ccccc1-c1cncc2[nH]c3cc(NC4CCOCC4)ccc3c12
InChIInChI=1S/C22H20FN3O/c23-19-4-2-1-3-16(19)18-12-24-13-21-22(18)17-6-5-15(11-20(17)26-21)25-14-7-9-27-10-8-14/h1-6,11-14,25-26H,7-10H2
InChIKeyGLHVXFOAZDPDMC-UHFFFAOYSA-N
XLogP5.11
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.42
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N-(oxan-4-yl)-9H-pyrido[3,4-b]indol-7-amine?
The IUPAC name of 4-(2-fluorophenyl)-N-(oxan-4-yl)-9H-pyrido[3,4-b]indol-7-amine (CID 67994935) is 4-(2-fluorophenyl)-N-(oxan-4-yl)-9H-pyrido[3,4-b]indol-7-amine.
What is the SMILES notation for 4-(2-fluorophenyl)-N-(oxan-4-yl)-9H-pyrido[3,4-b]indol-7-amine?
The canonical SMILES for 4-(2-fluorophenyl)-N-(oxan-4-yl)-9H-pyrido[3,4-b]indol-7-amine is Fc1ccccc1-c1cncc2[nH]c3cc(NC4CCOCC4)ccc3c12.
What is the InChIKey of 4-(2-fluorophenyl)-N-(oxan-4-yl)-9H-pyrido[3,4-b]indol-7-amine?
The InChIKey is GLHVXFOAZDPDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O/c23-19-4-2-1-3-16(19)18-12-24-13-21-22(18)17-6-5-15(11-20(17)26-21)25-14-7-9-27-10-8-14/h1-6,11-14,25-26H,7-10H2.
What are the key properties of 4-(2-fluorophenyl)-N-(oxan-4-yl)-9H-pyrido[3,4-b]indol-7-amine?
4-(2-fluorophenyl)-N-(oxan-4-yl)-9H-pyrido[3,4-b]indol-7-amine has a molecular weight of 361.42 g/mol, XLogP of 5.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N-(oxan-4-yl)-9H-pyrido[3,4-b]indol-7-amine is sourced from PubChem (CID 67994935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).