3-imino-5-methyl-6-phenylphenanthridin-8-amine;hydrobromide

C20H18BrN3 — CID 131664166

IUPAC3-imino-5-methyl-6-phenylphenanthridin-8-amine;hydrobromide
SMILESBr.[H]/N=c1\ccc2c3ccc(N)cc3c(-c3ccccc3)n(C)c-2c1
InChIInChI=1S/C20H17N3.BrH/c1-23-19-12-15(22)8-10-17(19)16-9-7-14(21)11-18(16)20(23)13-5-3-2-4-6-13;/h2-12,22H,21H2,1H3;1H/b22-15+;
InChIKeyMQOKYEROIFEEBH-WXXHTBLMSA-N
MW380.29 g/mol
LogP4.59
Rot. Bonds1

About 3-imino-5-methyl-6-phenylphenanthridin-8-amine;hydrobromide

3-imino-5-methyl-6-phenylphenanthridin-8-amine;hydrobromide (PubChem CID 131664166) has the molecular formula C20H18BrN3 and a molecular weight of 380.29 g/mol. Its IUPAC name is 3-imino-5-methyl-6-phenylphenanthridin-8-amine;hydrobromide.

Molecular Properties

Compound Name3-imino-5-methyl-6-phenylphenanthridin-8-amine;hydrobromide
PubChem CID131664166
Molecular FormulaC20H18BrN3
Molecular Weight380.29 g/mol
Exact Mass379.07
IUPAC Name3-imino-5-methyl-6-phenylphenanthridin-8-amine;hydrobromide
SMILESBr.[H]/N=c1\ccc2c3ccc(N)cc3c(-c3ccccc3)n(C)c-2c1
InChIInChI=1S/C20H17N3.BrH/c1-23-19-12-15(22)8-10-17(19)16-9-7-14(21)11-18(16)20(23)13-5-3-2-4-6-13;/h2-12,22H,21H2,1H3;1H/b22-15+;
InChIKeyMQOKYEROIFEEBH-WXXHTBLMSA-N
XLogP4.59
TPSA54.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.29
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-imino-5-methyl-6-phenylphenanthridin-8-amine;hydrobromide 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 3-imino-5-methyl-6-phenylphenanthridin-8-amine;hydrobromide?
The IUPAC name of 3-imino-5-methyl-6-phenylphenanthridin-8-amine;hydrobromide (CID 131664166) is 3-imino-5-methyl-6-phenylphenanthridin-8-amine;hydrobromide.
What is the SMILES notation for 3-imino-5-methyl-6-phenylphenanthridin-8-amine;hydrobromide?
The canonical SMILES for 3-imino-5-methyl-6-phenylphenanthridin-8-amine;hydrobromide is Br.[H]/N=c1\ccc2c3ccc(N)cc3c(-c3ccccc3)n(C)c-2c1.
What is the InChIKey of 3-imino-5-methyl-6-phenylphenanthridin-8-amine;hydrobromide?
The InChIKey is MQOKYEROIFEEBH-WXXHTBLMSA-N. The full InChI is InChI=1S/C20H17N3.BrH/c1-23-19-12-15(22)8-10-17(19)16-9-7-14(21)11-18(16)20(23)13-5-3-2-4-6-13;/h2-12,22H,21H2,1H3;1H/b22-15+;.
What are the key properties of 3-imino-5-methyl-6-phenylphenanthridin-8-amine;hydrobromide?
3-imino-5-methyl-6-phenylphenanthridin-8-amine;hydrobromide has a molecular weight of 380.29 g/mol, XLogP of 4.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-5-methyl-6-phenylphenanthridin-8-amine;hydrobromide is sourced from PubChem (CID 131664166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).