actinium;[hydroxy-[[(6-hydroxy-7-methoxyquinazolin-4-yl)amino]methyl]phosphoryl]methylphosphonic acid

C11H15AcN3O7P2 — CID 58735298

IUPACactinium;[hydroxy-[[(6-hydroxy-7-methoxyquinazolin-4-yl)amino]methyl]phosphoryl]methylphosphonic acid
SMILESCOc1cc2ncnc(NCP(=O)(O)CP(=O)(O)O)c2cc1O.[Ac]
InChIInChI=1S/C11H15N3O7P2.Ac/c1-21-10-3-8-7(2-9(10)15)11(13-4-12-8)14-5-22(16,17)6-23(18,19)20;/h2-4,15H,5-6H2,1H3,(H,16,17)(H,12,13,14)(H2,18,19,20);
InChIKeyKXFVEUVSMSVRQC-UHFFFAOYSA-N
MW590.20 g/mol
LogP1.12
Rot. Bonds6

About actinium;[hydroxy-[[(6-hydroxy-7-methoxyquinazolin-4-yl)amino]methyl]phosphoryl]methylphosphonic acid

actinium;[hydroxy-[[(6-hydroxy-7-methoxyquinazolin-4-yl)amino]methyl]phosphoryl]methylphosphonic acid (PubChem CID 58735298) has the molecular formula C11H15AcN3O7P2 and a molecular weight of 590.20 g/mol. Its IUPAC name is actinium;[hydroxy-[[(6-hydroxy-7-methoxyquinazolin-4-yl)amino]methyl]phosphoryl]methylphosphonic acid.

Molecular Properties

Compound Nameactinium;[hydroxy-[[(6-hydroxy-7-methoxyquinazolin-4-yl)amino]methyl]phosphoryl]methylphosphonic acid
PubChem CID58735298
Molecular FormulaC11H15AcN3O7P2
Molecular Weight590.20 g/mol
Exact Mass590.07
IUPAC Nameactinium;[hydroxy-[[(6-hydroxy-7-methoxyquinazolin-4-yl)amino]methyl]phosphoryl]methylphosphonic acid
SMILESCOc1cc2ncnc(NCP(=O)(O)CP(=O)(O)O)c2cc1O.[Ac]
InChIInChI=1S/C11H15N3O7P2.Ac/c1-21-10-3-8-7(2-9(10)15)11(13-4-12-8)14-5-22(16,17)6-23(18,19)20;/h2-4,15H,5-6H2,1H3,(H,16,17)(H,12,13,14)(H2,18,19,20);
InChIKeyKXFVEUVSMSVRQC-UHFFFAOYSA-N
XLogP1.12
TPSA162.10 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500590.20
LogP ≤ 51.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze actinium;[hydroxy-[[(6-hydroxy-7-methoxyquinazolin-4-yl)amino]methyl]phosphoryl]methylphosphonic acid with MolForge

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Related Compounds

7-methoxy-4-(3-phosphanylpropylamino)quinazolin-6-ol
CID 59068661
[[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-hydroxyphosphoryl]methylphosphonic acid
CID 10181663
4-(3-bromoanilino)-7-(111C)methoxyquinazolin-6-ol
CID 11142491
4-[1-(4-fluorophenyl)ethylamino]-7-methoxyquinazolin-6-ol
CID 66755493
4-amino-6-methoxyquinazolin-7-ol
CID 135697903
N-(6,7-dimethoxyquinazolin-4-yl)-2,2-dimethylpropanamide
CID 155236083
[[4-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]-hydroxyphosphoryl]methylphosphonic acid
CID 10301892
4-(2-fluoro-5-hydroxy-4-methylanilino)-6-methoxyquinazolin-7-ol
CID 135549384
4-chloro-7-(2-methoxyethoxy)quinazolin-6-ol
CID 25258085
N-(6,7-dimethoxyquinazolin-4-yl)-N',N'-diethylethane-1,2-diamine
CID 21002974
4-(2,3-dihydro-1H-inden-4-ylamino)-7-methoxyquinazolin-6-ol
CID 143731355
[4-[[(6,7-dimethoxyquinazolin-4-yl)amino]methyl]phenyl]phosphonous acid
CID 154672976

Frequently Asked Questions

What is the IUPAC name of actinium;[hydroxy-[[(6-hydroxy-7-methoxyquinazolin-4-yl)amino]methyl]phosphoryl]methylphosphonic acid?
The IUPAC name of actinium;[hydroxy-[[(6-hydroxy-7-methoxyquinazolin-4-yl)amino]methyl]phosphoryl]methylphosphonic acid (CID 58735298) is actinium;[hydroxy-[[(6-hydroxy-7-methoxyquinazolin-4-yl)amino]methyl]phosphoryl]methylphosphonic acid.
What is the SMILES notation for actinium;[hydroxy-[[(6-hydroxy-7-methoxyquinazolin-4-yl)amino]methyl]phosphoryl]methylphosphonic acid?
The canonical SMILES for actinium;[hydroxy-[[(6-hydroxy-7-methoxyquinazolin-4-yl)amino]methyl]phosphoryl]methylphosphonic acid is COc1cc2ncnc(NCP(=O)(O)CP(=O)(O)O)c2cc1O.[Ac].
What is the InChIKey of actinium;[hydroxy-[[(6-hydroxy-7-methoxyquinazolin-4-yl)amino]methyl]phosphoryl]methylphosphonic acid?
The InChIKey is KXFVEUVSMSVRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O7P2.Ac/c1-21-10-3-8-7(2-9(10)15)11(13-4-12-8)14-5-22(16,17)6-23(18,19)20;/h2-4,15H,5-6H2,1H3,(H,16,17)(H,12,13,14)(H2,18,19,20);.
What are the key properties of actinium;[hydroxy-[[(6-hydroxy-7-methoxyquinazolin-4-yl)amino]methyl]phosphoryl]methylphosphonic acid?
actinium;[hydroxy-[[(6-hydroxy-7-methoxyquinazolin-4-yl)amino]methyl]phosphoryl]methylphosphonic acid has a molecular weight of 590.20 g/mol, XLogP of 1.12, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;[hydroxy-[[(6-hydroxy-7-methoxyquinazolin-4-yl)amino]methyl]phosphoryl]methylphosphonic acid is sourced from PubChem (CID 58735298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).