N-(4-dihydroxyphosphinothioyloxyphenyl)-7-methoxyquinazolin-4-amine

C15H14N3O4PS — CID 154673012

IUPACN-(4-dihydroxyphosphinothioyloxyphenyl)-7-methoxyquinazolin-4-amine
SMILESCOc1ccc2c(Nc3ccc(OP(O)(O)=S)cc3)ncnc2c1
InChIInChI=1S/C15H14N3O4PS/c1-21-12-6-7-13-14(8-12)16-9-17-15(13)18-10-2-4-11(5-3-10)22-23(19,20)24/h2-9H,1H3,(H,16,17,18)(H2,19,20,24)
InChIKeyZCTZOVNTLLDEPQ-UHFFFAOYSA-N
MW363.34 g/mol
LogP2.97
Rot. Bonds5

About N-(4-dihydroxyphosphinothioyloxyphenyl)-7-methoxyquinazolin-4-amine

N-(4-dihydroxyphosphinothioyloxyphenyl)-7-methoxyquinazolin-4-amine (PubChem CID 154673012) has the molecular formula C15H14N3O4PS and a molecular weight of 363.34 g/mol. Its IUPAC name is N-(4-dihydroxyphosphinothioyloxyphenyl)-7-methoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-(4-dihydroxyphosphinothioyloxyphenyl)-7-methoxyquinazolin-4-amine
PubChem CID154673012
Molecular FormulaC15H14N3O4PS
Molecular Weight363.34 g/mol
Exact Mass363.04
IUPAC NameN-(4-dihydroxyphosphinothioyloxyphenyl)-7-methoxyquinazolin-4-amine
SMILESCOc1ccc2c(Nc3ccc(OP(O)(O)=S)cc3)ncnc2c1
InChIInChI=1S/C15H14N3O4PS/c1-21-12-6-7-13-14(8-12)16-9-17-15(13)18-10-2-4-11(5-3-10)22-23(19,20)24/h2-9H,1H3,(H,16,17,18)(H2,19,20,24)
InChIKeyZCTZOVNTLLDEPQ-UHFFFAOYSA-N
XLogP2.97
TPSA96.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(7-methoxyquinazolin-4-yl)amino]phenyl]ethylphosphonic acid
CID 155033674
7-methoxy-N-(3-methoxyphenyl)quinazolin-4-amine
CID 21003078
2-chloro-4-[(7-methoxyquinazolin-4-yl)amino]benzonitrile
CID 175390232
N-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine
CID 66554700
7-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]quinazolin-4-amine
CID 141331547
[4-(4-phenylmethoxyanilino)quinazolin-7-yl] acetate
CID 54081990
N-(2-ethoxyphenyl)-7-methoxyquinazolin-4-amine
CID 110434377
N-(3-ethynylphenyl)-7-methoxyquinazolin-4-amine;2-hydroxyacetic acid
CID 175292977
2-[2-[(7-methoxyquinazolin-4-yl)amino]ethoxy]ethanol
CID 21003121
N-[(4-methoxyphenyl)methyl]-4-(quinazolin-4-ylamino)benzamide
CID 2501443
2-hydroxy-5-[(6-methoxyquinazolin-4-yl)amino]benzoic acid
CID 21002903
4-(4-phenylmethoxyanilino)quinazolin-7-ol
CID 135984119

Frequently Asked Questions

What is the IUPAC name of N-(4-dihydroxyphosphinothioyloxyphenyl)-7-methoxyquinazolin-4-amine?
The IUPAC name of N-(4-dihydroxyphosphinothioyloxyphenyl)-7-methoxyquinazolin-4-amine (CID 154673012) is N-(4-dihydroxyphosphinothioyloxyphenyl)-7-methoxyquinazolin-4-amine.
What is the SMILES notation for N-(4-dihydroxyphosphinothioyloxyphenyl)-7-methoxyquinazolin-4-amine?
The canonical SMILES for N-(4-dihydroxyphosphinothioyloxyphenyl)-7-methoxyquinazolin-4-amine is COc1ccc2c(Nc3ccc(OP(O)(O)=S)cc3)ncnc2c1.
What is the InChIKey of N-(4-dihydroxyphosphinothioyloxyphenyl)-7-methoxyquinazolin-4-amine?
The InChIKey is ZCTZOVNTLLDEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N3O4PS/c1-21-12-6-7-13-14(8-12)16-9-17-15(13)18-10-2-4-11(5-3-10)22-23(19,20)24/h2-9H,1H3,(H,16,17,18)(H2,19,20,24).
What are the key properties of N-(4-dihydroxyphosphinothioyloxyphenyl)-7-methoxyquinazolin-4-amine?
N-(4-dihydroxyphosphinothioyloxyphenyl)-7-methoxyquinazolin-4-amine has a molecular weight of 363.34 g/mol, XLogP of 2.97, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dihydroxyphosphinothioyloxyphenyl)-7-methoxyquinazolin-4-amine is sourced from PubChem (CID 154673012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).