CID 70372151

C17H14N4NaO3 — CID 70372151

IUPAC—
SMILESCCCOc1ccc2oc3cc(-c4nn[nH]n4)ccc3c(=O)c2c1.[Na]
InChIInChI=1S/C17H14N4O3.Na/c1-2-7-23-11-4-6-14-13(9-11)16(22)12-5-3-10(8-15(12)24-14)17-18-20-21-19-17;/h3-6,8-9H,2,7H2,1H3,(H,18,19,20,21);
InChIKeyDRVNVHDSDVDAAG-UHFFFAOYSA-N
MW345.31 g/mol
LogP2.53
Rot. Bonds4

About CID 70372151

CID 70372151 (PubChem CID 70372151) has the molecular formula C17H14N4NaO3 and a molecular weight of 345.31 g/mol.

Molecular Properties

Compound NameCID 70372151
PubChem CID70372151
Molecular FormulaC17H14N4NaO3
Molecular Weight345.31 g/mol
Exact Mass345.10
IUPAC Name—
SMILESCCCOc1ccc2oc3cc(-c4nn[nH]n4)ccc3c(=O)c2c1.[Na]
InChIInChI=1S/C17H14N4O3.Na/c1-2-7-23-11-4-6-14-13(9-11)16(22)12-5-3-10(8-15(12)24-14)17-18-20-21-19-17;/h3-6,8-9H,2,7H2,1H3,(H,18,19,20,21);
InChIKeyDRVNVHDSDVDAAG-UHFFFAOYSA-N
XLogP2.53
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze CID 70372151 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 CID 70372151?
The IUPAC name of CID 70372151 (CID 70372151) is not available.
What is the SMILES notation for CID 70372151?
The canonical SMILES for CID 70372151 is CCCOc1ccc2oc3cc(-c4nn[nH]n4)ccc3c(=O)c2c1.[Na].
What is the InChIKey of CID 70372151?
The InChIKey is DRVNVHDSDVDAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3.Na/c1-2-7-23-11-4-6-14-13(9-11)16(22)12-5-3-10(8-15(12)24-14)17-18-20-21-19-17;/h3-6,8-9H,2,7H2,1H3,(H,18,19,20,21);.
What are the key properties of CID 70372151?
CID 70372151 has a molecular weight of 345.31 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70372151 is sourced from PubChem (CID 70372151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).