3-methoxyphenanthro[9,10-b]pyrazine;4H-phenanthro[9,10-b]pyrazin-3-one;pyridine;hydrochloride

C38H28ClN5O2 — CID 158700382

IUPAC3-methoxyphenanthro[9,10-b]pyrazine;4H-phenanthro[9,10-b]pyrazin-3-one;pyridine;hydrochloride
SMILESCOc1cnc2c3ccccc3c3ccccc3c2n1.Cl.O=c1cnc2c3ccccc3c3ccccc3c2[nH]1.c1ccncc1
InChIInChI=1S/C17H12N2O.C16H10N2O.C5H5N.ClH/c1-20-15-10-18-16-13-8-4-2-6-11(13)12-7-3-5-9-14(12)17(16)19-15;19-14-9-17-15-12-7-3-1-5-10(12)11-6-2-4-8-13(11)16(15)18-14;1-2-4-6-5-3-1;/h2-10H,1H3;1-9H,(H,18,19);1-5H;1H
InChIKeyCFEPHKRZNHNAJU-UHFFFAOYSA-N
MW622.13 g/mol
LogP8.68
Rot. Bonds1

About 3-methoxyphenanthro[9,10-b]pyrazine;4H-phenanthro[9,10-b]pyrazin-3-one;pyridine;hydrochloride

3-methoxyphenanthro[9,10-b]pyrazine;4H-phenanthro[9,10-b]pyrazin-3-one;pyridine;hydrochloride (PubChem CID 158700382) has the molecular formula C38H28ClN5O2 and a molecular weight of 622.13 g/mol. Its IUPAC name is 3-methoxyphenanthro[9,10-b]pyrazine;4H-phenanthro[9,10-b]pyrazin-3-one;pyridine;hydrochloride.

Molecular Properties

Compound Name3-methoxyphenanthro[9,10-b]pyrazine;4H-phenanthro[9,10-b]pyrazin-3-one;pyridine;hydrochloride
PubChem CID158700382
Molecular FormulaC38H28ClN5O2
Molecular Weight622.13 g/mol
Exact Mass621.19
IUPAC Name3-methoxyphenanthro[9,10-b]pyrazine;4H-phenanthro[9,10-b]pyrazin-3-one;pyridine;hydrochloride
SMILESCOc1cnc2c3ccccc3c3ccccc3c2n1.Cl.O=c1cnc2c3ccccc3c3ccccc3c2[nH]1.c1ccncc1
InChIInChI=1S/C17H12N2O.C16H10N2O.C5H5N.ClH/c1-20-15-10-18-16-13-8-4-2-6-11(13)12-7-3-5-9-14(12)17(16)19-15;19-14-9-17-15-12-7-3-1-5-10(12)11-6-2-4-8-13(11)16(15)18-14;1-2-4-6-5-3-1;/h2-10H,1H3;1-9H,(H,18,19);1-5H;1H
InChIKeyCFEPHKRZNHNAJU-UHFFFAOYSA-N
XLogP8.68
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.13
LogP ≤ 58.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-methoxyphenanthro[9,10-b]pyrazine;4H-phenanthro[9,10-b]pyrazin-3-one;pyridine;hydrochloride 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-methoxyphenanthro[9,10-b]pyrazine;4H-phenanthro[9,10-b]pyrazin-3-one;pyridine;hydrochloride?
The IUPAC name of 3-methoxyphenanthro[9,10-b]pyrazine;4H-phenanthro[9,10-b]pyrazin-3-one;pyridine;hydrochloride (CID 158700382) is 3-methoxyphenanthro[9,10-b]pyrazine;4H-phenanthro[9,10-b]pyrazin-3-one;pyridine;hydrochloride.
What is the SMILES notation for 3-methoxyphenanthro[9,10-b]pyrazine;4H-phenanthro[9,10-b]pyrazin-3-one;pyridine;hydrochloride?
The canonical SMILES for 3-methoxyphenanthro[9,10-b]pyrazine;4H-phenanthro[9,10-b]pyrazin-3-one;pyridine;hydrochloride is COc1cnc2c3ccccc3c3ccccc3c2n1.Cl.O=c1cnc2c3ccccc3c3ccccc3c2[nH]1.c1ccncc1.
What is the InChIKey of 3-methoxyphenanthro[9,10-b]pyrazine;4H-phenanthro[9,10-b]pyrazin-3-one;pyridine;hydrochloride?
The InChIKey is CFEPHKRZNHNAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O.C16H10N2O.C5H5N.ClH/c1-20-15-10-18-16-13-8-4-2-6-11(13)12-7-3-5-9-14(12)17(16)19-15;19-14-9-17-15-12-7-3-1-5-10(12)11-6-2-4-8-13(11)16(15)18-14;1-2-4-6-5-3-1;/h2-10H,1H3;1-9H,(H,18,19);1-5H;1H.
What are the key properties of 3-methoxyphenanthro[9,10-b]pyrazine;4H-phenanthro[9,10-b]pyrazin-3-one;pyridine;hydrochloride?
3-methoxyphenanthro[9,10-b]pyrazine;4H-phenanthro[9,10-b]pyrazin-3-one;pyridine;hydrochloride has a molecular weight of 622.13 g/mol, XLogP of 8.68, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxyphenanthro[9,10-b]pyrazine;4H-phenanthro[9,10-b]pyrazin-3-one;pyridine;hydrochloride is sourced from PubChem (CID 158700382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).