[4-(6,7-dimethoxy-4-phenylmethoxyquinazolin-2-yl)phenyl]methylphosphonic acid

C24H23N2O6P — CID 23214362

IUPAC[4-(6,7-dimethoxy-4-phenylmethoxyquinazolin-2-yl)phenyl]methylphosphonic acid
SMILESCOc1cc2nc(-c3ccc(CP(=O)(O)O)cc3)nc(OCc3ccccc3)c2cc1OC
InChIInChI=1S/C24H23N2O6P/c1-30-21-12-19-20(13-22(21)31-2)25-23(18-10-8-17(9-11-18)15-33(27,28)29)26-24(19)32-14-16-6-4-3-5-7-16/h3-13H,14-15H2,1-2H3,(H2,27,28,29)
InChIKeyWLFGPLBATCTGPR-UHFFFAOYSA-N
MW466.43 g/mol
LogP4.57
Rot. Bonds8

About [4-(6,7-dimethoxy-4-phenylmethoxyquinazolin-2-yl)phenyl]methylphosphonic acid

[4-(6,7-dimethoxy-4-phenylmethoxyquinazolin-2-yl)phenyl]methylphosphonic acid (PubChem CID 23214362) has the molecular formula C24H23N2O6P and a molecular weight of 466.43 g/mol. Its IUPAC name is [4-(6,7-dimethoxy-4-phenylmethoxyquinazolin-2-yl)phenyl]methylphosphonic acid.

Molecular Properties

Compound Name[4-(6,7-dimethoxy-4-phenylmethoxyquinazolin-2-yl)phenyl]methylphosphonic acid
PubChem CID23214362
Molecular FormulaC24H23N2O6P
Molecular Weight466.43 g/mol
Exact Mass466.13
IUPAC Name[4-(6,7-dimethoxy-4-phenylmethoxyquinazolin-2-yl)phenyl]methylphosphonic acid
SMILESCOc1cc2nc(-c3ccc(CP(=O)(O)O)cc3)nc(OCc3ccccc3)c2cc1OC
InChIInChI=1S/C24H23N2O6P/c1-30-21-12-19-20(13-22(21)31-2)25-23(18-10-8-17(9-11-18)15-33(27,28)29)26-24(19)32-14-16-6-4-3-5-7-16/h3-13H,14-15H2,1-2H3,(H2,27,28,29)
InChIKeyWLFGPLBATCTGPR-UHFFFAOYSA-N
XLogP4.57
TPSA111.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.43
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(3,4-dimethoxyphenyl)-4-phenylmethoxyquinazolin-2-amine
CID 24961708
2-(4-chlorophenyl)-4-[(4-chlorophenyl)methoxy]quinazoline
CID 23852658
2-(2-chlorophenyl)-4-[(3,4-dimethoxyphenyl)methoxy]quinazoline
CID 23735721
4,7-dimethoxy-6-phenylmethoxynaphthalene-2-carboxylic acid
CID 73013799
methyl 5,6-bis[(4-methoxyphenyl)methoxy]-2-(4-methylphenyl)pyrimidine-4-carboxylate
CID 59688050
4-(iodomethyl)-2-methoxy-1-phenylmethoxybenzene
CID 11164050
6-methoxy-2,4-bis(phenylmethoxy)quinazoline
CID 18796746
4-chloro-6-methoxy-7-phenylmethoxyquinazoline
CID 10661998
1-[(6,7-dimethoxy-2-phenylquinazolin-4-yl)amino]propan-2-ol
CID 84977192
6,7-dimethoxy-2-(4-methoxyphenyl)-N-phenylquinazolin-4-amine
CID 117088726
[4-[[4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenoxy]methyl]phenyl]methylphosphonic acid
CID 67020885
6,7-dimethoxy-2-phenyl-N-(2-pyridin-2-ylethyl)quinazolin-4-amine
CID 117093998

Frequently Asked Questions

What is the IUPAC name of [4-(6,7-dimethoxy-4-phenylmethoxyquinazolin-2-yl)phenyl]methylphosphonic acid?
The IUPAC name of [4-(6,7-dimethoxy-4-phenylmethoxyquinazolin-2-yl)phenyl]methylphosphonic acid (CID 23214362) is [4-(6,7-dimethoxy-4-phenylmethoxyquinazolin-2-yl)phenyl]methylphosphonic acid.
What is the SMILES notation for [4-(6,7-dimethoxy-4-phenylmethoxyquinazolin-2-yl)phenyl]methylphosphonic acid?
The canonical SMILES for [4-(6,7-dimethoxy-4-phenylmethoxyquinazolin-2-yl)phenyl]methylphosphonic acid is COc1cc2nc(-c3ccc(CP(=O)(O)O)cc3)nc(OCc3ccccc3)c2cc1OC.
What is the InChIKey of [4-(6,7-dimethoxy-4-phenylmethoxyquinazolin-2-yl)phenyl]methylphosphonic acid?
The InChIKey is WLFGPLBATCTGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N2O6P/c1-30-21-12-19-20(13-22(21)31-2)25-23(18-10-8-17(9-11-18)15-33(27,28)29)26-24(19)32-14-16-6-4-3-5-7-16/h3-13H,14-15H2,1-2H3,(H2,27,28,29).
What are the key properties of [4-(6,7-dimethoxy-4-phenylmethoxyquinazolin-2-yl)phenyl]methylphosphonic acid?
[4-(6,7-dimethoxy-4-phenylmethoxyquinazolin-2-yl)phenyl]methylphosphonic acid has a molecular weight of 466.43 g/mol, XLogP of 4.57, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6,7-dimethoxy-4-phenylmethoxyquinazolin-2-yl)phenyl]methylphosphonic acid is sourced from PubChem (CID 23214362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).