N-(4-bromo-3-ethoxyphenyl)-9H-pyrido[2,3-b]indol-4-amine

C19H16BrN3O — CID 90654497

IUPACN-(4-bromo-3-ethoxyphenyl)-9H-pyrido[2,3-b]indol-4-amine
SMILESCCOc1cc(Nc2ccnc3[nH]c4ccccc4c23)ccc1Br
InChIInChI=1S/C19H16BrN3O/c1-2-24-17-11-12(7-8-14(17)20)22-16-9-10-21-19-18(16)13-5-3-4-6-15(13)23-19/h3-11H,2H2,1H3,(H2,21,22,23)
InChIKeyPPQJMKYWRNRCRE-UHFFFAOYSA-N
MW382.26 g/mol
LogP5.62
Rot. Bonds4

About N-(4-bromo-3-ethoxyphenyl)-9H-pyrido[2,3-b]indol-4-amine

N-(4-bromo-3-ethoxyphenyl)-9H-pyrido[2,3-b]indol-4-amine (PubChem CID 90654497) has the molecular formula C19H16BrN3O and a molecular weight of 382.26 g/mol. Its IUPAC name is N-(4-bromo-3-ethoxyphenyl)-9H-pyrido[2,3-b]indol-4-amine.

Molecular Properties

Compound NameN-(4-bromo-3-ethoxyphenyl)-9H-pyrido[2,3-b]indol-4-amine
PubChem CID90654497
Molecular FormulaC19H16BrN3O
Molecular Weight382.26 g/mol
Exact Mass381.05
IUPAC NameN-(4-bromo-3-ethoxyphenyl)-9H-pyrido[2,3-b]indol-4-amine
SMILESCCOc1cc(Nc2ccnc3[nH]c4ccccc4c23)ccc1Br
InChIInChI=1S/C19H16BrN3O/c1-2-24-17-11-12(7-8-14(17)20)22-16-9-10-21-19-18(16)13-5-3-4-6-15(13)23-19/h3-11H,2H2,1H3,(H2,21,22,23)
InChIKeyPPQJMKYWRNRCRE-UHFFFAOYSA-N
XLogP5.62
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.26
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-bromo-3-ethoxyphenyl)-9H-pyrido[2,3-b]indol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-ethoxyphenyl)-9H-pyrido[2,3-b]indol-4-amine?
The IUPAC name of N-(4-bromo-3-ethoxyphenyl)-9H-pyrido[2,3-b]indol-4-amine (CID 90654497) is N-(4-bromo-3-ethoxyphenyl)-9H-pyrido[2,3-b]indol-4-amine.
What is the SMILES notation for N-(4-bromo-3-ethoxyphenyl)-9H-pyrido[2,3-b]indol-4-amine?
The canonical SMILES for N-(4-bromo-3-ethoxyphenyl)-9H-pyrido[2,3-b]indol-4-amine is CCOc1cc(Nc2ccnc3[nH]c4ccccc4c23)ccc1Br.
What is the InChIKey of N-(4-bromo-3-ethoxyphenyl)-9H-pyrido[2,3-b]indol-4-amine?
The InChIKey is PPQJMKYWRNRCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O/c1-2-24-17-11-12(7-8-14(17)20)22-16-9-10-21-19-18(16)13-5-3-4-6-15(13)23-19/h3-11H,2H2,1H3,(H2,21,22,23).
What are the key properties of N-(4-bromo-3-ethoxyphenyl)-9H-pyrido[2,3-b]indol-4-amine?
N-(4-bromo-3-ethoxyphenyl)-9H-pyrido[2,3-b]indol-4-amine has a molecular weight of 382.26 g/mol, XLogP of 5.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-ethoxyphenyl)-9H-pyrido[2,3-b]indol-4-amine is sourced from PubChem (CID 90654497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).