ethane;5-hydroxy-4,7-phenanthroline-3,8-dicarbaldehyde;methane

C17H18N2O3 — CID 142879404

IUPACethane;5-hydroxy-4,7-phenanthroline-3,8-dicarbaldehyde;methane
SMILESC.CC.O=Cc1ccc2c(cc(O)c3nc(C=O)ccc32)n1
InChIInChI=1S/C14H8N2O3.C2H6.CH4/c17-6-8-1-3-10-11-4-2-9(7-18)16-14(11)13(19)5-12(10)15-8;1-2;/h1-7,19H;1-2H3;1H4
InChIKeyIWVJEACZXOGPDC-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.78
Rot. Bonds2

About ethane;5-hydroxy-4,7-phenanthroline-3,8-dicarbaldehyde;methane

ethane;5-hydroxy-4,7-phenanthroline-3,8-dicarbaldehyde;methane (PubChem CID 142879404) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is ethane;5-hydroxy-4,7-phenanthroline-3,8-dicarbaldehyde;methane.

Molecular Properties

Compound Nameethane;5-hydroxy-4,7-phenanthroline-3,8-dicarbaldehyde;methane
PubChem CID142879404
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Nameethane;5-hydroxy-4,7-phenanthroline-3,8-dicarbaldehyde;methane
SMILESC.CC.O=Cc1ccc2c(cc(O)c3nc(C=O)ccc32)n1
InChIInChI=1S/C14H8N2O3.C2H6.CH4/c17-6-8-1-3-10-11-4-2-9(7-18)16-14(11)13(19)5-12(10)15-8;1-2;/h1-7,19H;1-2H3;1H4
InChIKeyIWVJEACZXOGPDC-UHFFFAOYSA-N
XLogP3.78
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethane;5-hydroxy-4,7-phenanthroline-3,8-dicarbaldehyde;methane with MolForge

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

Launch Full Analysis

Related Compounds

5,7-dibromo-8-hydroxyquinoline-2-carbaldehyde;ethane
CID 145281378
benzo[f]quinoline-3-carbaldehyde
CID 102020467
5,8-dichloroquinoline-2-carbaldehyde
CID 82242447
5-bromo-8-fluoro-6-methylquinoline-2-carbaldehyde
CID 97036774
7-chloro-6-fluoroquinoline-2-carbaldehyde
CID 23359173
5-bromo-6-(hydroxymethyl)quinoline-2-carbaldehyde
CID 58506614
4-methylquinoline-2-carbaldehyde
CID 12735795
quinoline-2-carbaldehyde;hydrate
CID 158547927
4-(methylamino)quinoline-2-carbaldehyde
CID 142024899
4,6-dimethyl-2-(2-methylprop-1-enyl)quinolin-7-ol
CID 174710430
2,4-diaminopyrido[3,2-d]pyrimidine-6-carbaldehyde
CID 71318701
N-(6-chloro-2-formylquinolin-8-yl)acetamide
CID 138490103

Frequently Asked Questions

What is the IUPAC name of ethane;5-hydroxy-4,7-phenanthroline-3,8-dicarbaldehyde;methane?
The IUPAC name of ethane;5-hydroxy-4,7-phenanthroline-3,8-dicarbaldehyde;methane (CID 142879404) is ethane;5-hydroxy-4,7-phenanthroline-3,8-dicarbaldehyde;methane.
What is the SMILES notation for ethane;5-hydroxy-4,7-phenanthroline-3,8-dicarbaldehyde;methane?
The canonical SMILES for ethane;5-hydroxy-4,7-phenanthroline-3,8-dicarbaldehyde;methane is C.CC.O=Cc1ccc2c(cc(O)c3nc(C=O)ccc32)n1.
What is the InChIKey of ethane;5-hydroxy-4,7-phenanthroline-3,8-dicarbaldehyde;methane?
The InChIKey is IWVJEACZXOGPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O3.C2H6.CH4/c17-6-8-1-3-10-11-4-2-9(7-18)16-14(11)13(19)5-12(10)15-8;1-2;/h1-7,19H;1-2H3;1H4.
What are the key properties of ethane;5-hydroxy-4,7-phenanthroline-3,8-dicarbaldehyde;methane?
ethane;5-hydroxy-4,7-phenanthroline-3,8-dicarbaldehyde;methane has a molecular weight of 298.34 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-hydroxy-4,7-phenanthroline-3,8-dicarbaldehyde;methane is sourced from PubChem (CID 142879404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).