N-[(3-phenoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine

C24H19N3O — CID 56666556

IUPACN-[(3-phenoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine
SMILESc1ccc(Oc2cccc(CNc3cc4c(cn3)[nH]c3ccccc34)c2)cc1
InChIInChI=1S/C24H19N3O/c1-2-8-18(9-3-1)28-19-10-6-7-17(13-19)15-25-24-14-21-20-11-4-5-12-22(20)27-23(21)16-26-24/h1-14,16,27H,15H2,(H,25,26)
InChIKeyDMCDUELFWCRWHE-UHFFFAOYSA-N
MW365.44 g/mol
LogP6.12
Rot. Bonds5

About N-[(3-phenoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine

N-[(3-phenoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine (PubChem CID 56666556) has the molecular formula C24H19N3O and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[(3-phenoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine.

Molecular Properties

Compound NameN-[(3-phenoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine
PubChem CID56666556
Molecular FormulaC24H19N3O
Molecular Weight365.44 g/mol
Exact Mass365.15
IUPAC NameN-[(3-phenoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine
SMILESc1ccc(Oc2cccc(CNc3cc4c(cn3)[nH]c3ccccc34)c2)cc1
InChIInChI=1S/C24H19N3O/c1-2-8-18(9-3-1)28-19-10-6-7-17(13-19)15-25-24-14-21-20-11-4-5-12-22(20)27-23(21)16-26-24/h1-14,16,27H,15H2,(H,25,26)
InChIKeyDMCDUELFWCRWHE-UHFFFAOYSA-N
XLogP6.12
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.44
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-phenoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine?
The IUPAC name of N-[(3-phenoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine (CID 56666556) is N-[(3-phenoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine.
What is the SMILES notation for N-[(3-phenoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine?
The canonical SMILES for N-[(3-phenoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine is c1ccc(Oc2cccc(CNc3cc4c(cn3)[nH]c3ccccc34)c2)cc1.
What is the InChIKey of N-[(3-phenoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine?
The InChIKey is DMCDUELFWCRWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O/c1-2-8-18(9-3-1)28-19-10-6-7-17(13-19)15-25-24-14-21-20-11-4-5-12-22(20)27-23(21)16-26-24/h1-14,16,27H,15H2,(H,25,26).
What are the key properties of N-[(3-phenoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine?
N-[(3-phenoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine has a molecular weight of 365.44 g/mol, XLogP of 6.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine is sourced from PubChem (CID 56666556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).