[methyl(phenoxy)phosphoryl]oxybenzene;2-phenyl-1,7-naphthyridin-4-amine;2-phenyl-1,7-naphthyridine-4-carboxylic acid

C42H34N5O5P — CID 161018641

IUPAC[methyl(phenoxy)phosphoryl]oxybenzene;2-phenyl-1,7-naphthyridin-4-amine;2-phenyl-1,7-naphthyridine-4-carboxylic acid
SMILESCP(=O)(Oc1ccccc1)Oc1ccccc1.Nc1cc(-c2ccccc2)nc2cnccc12.O=C(O)c1cc(-c2ccccc2)nc2cnccc12
InChIInChI=1S/C15H10N2O2.C14H11N3.C13H13O3P/c18-15(19)12-8-13(10-4-2-1-3-5-10)17-14-9-16-7-6-11(12)14;15-12-8-13(10-4-2-1-3-5-10)17-14-9-16-7-6-11(12)14;1-17(14,15-12-8-4-2-5-9-12)16-13-10-6-3-7-11-13/h1-9H,(H,18,19);1-9H,(H2,15,17);2-11H,1H3
InChIKeyTYBHELSALCHSAV-UHFFFAOYSA-N
MW719.74 g/mol
LogP9.84
Rot. Bonds7

About [methyl(phenoxy)phosphoryl]oxybenzene;2-phenyl-1,7-naphthyridin-4-amine;2-phenyl-1,7-naphthyridine-4-carboxylic acid

[methyl(phenoxy)phosphoryl]oxybenzene;2-phenyl-1,7-naphthyridin-4-amine;2-phenyl-1,7-naphthyridine-4-carboxylic acid (PubChem CID 161018641) has the molecular formula C42H34N5O5P and a molecular weight of 719.74 g/mol. Its IUPAC name is [methyl(phenoxy)phosphoryl]oxybenzene;2-phenyl-1,7-naphthyridin-4-amine;2-phenyl-1,7-naphthyridine-4-carboxylic acid.

Molecular Properties

Compound Name[methyl(phenoxy)phosphoryl]oxybenzene;2-phenyl-1,7-naphthyridin-4-amine;2-phenyl-1,7-naphthyridine-4-carboxylic acid
PubChem CID161018641
Molecular FormulaC42H34N5O5P
Molecular Weight719.74 g/mol
Exact Mass719.23
IUPAC Name[methyl(phenoxy)phosphoryl]oxybenzene;2-phenyl-1,7-naphthyridin-4-amine;2-phenyl-1,7-naphthyridine-4-carboxylic acid
SMILESCP(=O)(Oc1ccccc1)Oc1ccccc1.Nc1cc(-c2ccccc2)nc2cnccc12.O=C(O)c1cc(-c2ccccc2)nc2cnccc12
InChIInChI=1S/C15H10N2O2.C14H11N3.C13H13O3P/c18-15(19)12-8-13(10-4-2-1-3-5-10)17-14-9-16-7-6-11(12)14;15-12-8-13(10-4-2-1-3-5-10)17-14-9-16-7-6-11(12)14;1-17(14,15-12-8-4-2-5-9-12)16-13-10-6-3-7-11-13/h1-9H,(H,18,19);1-9H,(H2,15,17);2-11H,1H3
InChIKeyTYBHELSALCHSAV-UHFFFAOYSA-N
XLogP9.84
TPSA150.41 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.74
LogP ≤ 59.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [methyl(phenoxy)phosphoryl]oxybenzene;2-phenyl-1,7-naphthyridin-4-amine;2-phenyl-1,7-naphthyridine-4-carboxylic acid 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 [methyl(phenoxy)phosphoryl]oxybenzene;2-phenyl-1,7-naphthyridin-4-amine;2-phenyl-1,7-naphthyridine-4-carboxylic acid?
The IUPAC name of [methyl(phenoxy)phosphoryl]oxybenzene;2-phenyl-1,7-naphthyridin-4-amine;2-phenyl-1,7-naphthyridine-4-carboxylic acid (CID 161018641) is [methyl(phenoxy)phosphoryl]oxybenzene;2-phenyl-1,7-naphthyridin-4-amine;2-phenyl-1,7-naphthyridine-4-carboxylic acid.
What is the SMILES notation for [methyl(phenoxy)phosphoryl]oxybenzene;2-phenyl-1,7-naphthyridin-4-amine;2-phenyl-1,7-naphthyridine-4-carboxylic acid?
The canonical SMILES for [methyl(phenoxy)phosphoryl]oxybenzene;2-phenyl-1,7-naphthyridin-4-amine;2-phenyl-1,7-naphthyridine-4-carboxylic acid is CP(=O)(Oc1ccccc1)Oc1ccccc1.Nc1cc(-c2ccccc2)nc2cnccc12.O=C(O)c1cc(-c2ccccc2)nc2cnccc12.
What is the InChIKey of [methyl(phenoxy)phosphoryl]oxybenzene;2-phenyl-1,7-naphthyridin-4-amine;2-phenyl-1,7-naphthyridine-4-carboxylic acid?
The InChIKey is TYBHELSALCHSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2.C14H11N3.C13H13O3P/c18-15(19)12-8-13(10-4-2-1-3-5-10)17-14-9-16-7-6-11(12)14;15-12-8-13(10-4-2-1-3-5-10)17-14-9-16-7-6-11(12)14;1-17(14,15-12-8-4-2-5-9-12)16-13-10-6-3-7-11-13/h1-9H,(H,18,19);1-9H,(H2,15,17);2-11H,1H3.
What are the key properties of [methyl(phenoxy)phosphoryl]oxybenzene;2-phenyl-1,7-naphthyridin-4-amine;2-phenyl-1,7-naphthyridine-4-carboxylic acid?
[methyl(phenoxy)phosphoryl]oxybenzene;2-phenyl-1,7-naphthyridin-4-amine;2-phenyl-1,7-naphthyridine-4-carboxylic acid has a molecular weight of 719.74 g/mol, XLogP of 9.84, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(phenoxy)phosphoryl]oxybenzene;2-phenyl-1,7-naphthyridin-4-amine;2-phenyl-1,7-naphthyridine-4-carboxylic acid is sourced from PubChem (CID 161018641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).