2-[4-[(6,8-dimethoxyquinazolin-4-yl)amino]phenyl]ethylphosphonous acid

C18H20N3O4P — CID 154673036

IUPAC2-[4-[(6,8-dimethoxyquinazolin-4-yl)amino]phenyl]ethylphosphonous acid
SMILESCOc1cc(OC)c2ncnc(Nc3ccc(CCP(O)O)cc3)c2c1
InChIInChI=1S/C18H20N3O4P/c1-24-14-9-15-17(16(10-14)25-2)19-11-20-18(15)21-13-5-3-12(4-6-13)7-8-26(22)23/h3-6,9-11,22-23H,7-8H2,1-2H3,(H,19,20,21)
InChIKeyVCJBJSIOTOAZLZ-UHFFFAOYSA-N
MW373.35 g/mol
LogP3.23
Rot. Bonds7

About 2-[4-[(6,8-dimethoxyquinazolin-4-yl)amino]phenyl]ethylphosphonous acid

2-[4-[(6,8-dimethoxyquinazolin-4-yl)amino]phenyl]ethylphosphonous acid (PubChem CID 154673036) has the molecular formula C18H20N3O4P and a molecular weight of 373.35 g/mol. Its IUPAC name is 2-[4-[(6,8-dimethoxyquinazolin-4-yl)amino]phenyl]ethylphosphonous acid.

Molecular Properties

Compound Name2-[4-[(6,8-dimethoxyquinazolin-4-yl)amino]phenyl]ethylphosphonous acid
PubChem CID154673036
Molecular FormulaC18H20N3O4P
Molecular Weight373.35 g/mol
Exact Mass373.12
IUPAC Name2-[4-[(6,8-dimethoxyquinazolin-4-yl)amino]phenyl]ethylphosphonous acid
SMILESCOc1cc(OC)c2ncnc(Nc3ccc(CCP(O)O)cc3)c2c1
InChIInChI=1S/C18H20N3O4P/c1-24-14-9-15-17(16(10-14)25-2)19-11-20-18(15)21-13-5-3-12(4-6-13)7-8-26(22)23/h3-6,9-11,22-23H,7-8H2,1-2H3,(H,19,20,21)
InChIKeyVCJBJSIOTOAZLZ-UHFFFAOYSA-N
XLogP3.23
TPSA96.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.35
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-6,8-dimethoxyquinazolin-4-amine
CID 10065791
2-[4-[(7-methoxyquinazolin-4-yl)amino]phenyl]ethylphosphonic acid
CID 155033674
N-[4-chloro-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-6,8-dimethoxyquinazolin-4-amine
CID 71496490
N-[4-chloro-3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-6,8-dimethoxyquinazolin-4-amine
CID 71495622
6-N-(4-butylphenyl)-4-N-(2,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine
CID 23478456
N-[4-chloro-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]phenyl]-6,8-dimethoxyquinazolin-4-amine
CID 71496593
7,8-dimethoxy-N-(4-propoxyphenyl)quinazolin-4-amine
CID 110434470
N-[4-chloro-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]-6,8-dimethoxyquinazolin-4-amine
CID 71496489
2-amino-6-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]hexanoic acid
CID 11441241
N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;methanamine
CID 145172254
N-[4-[(dimethylamino)methyl]phenyl]-6,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-4-amine
CID 70976491
6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 67698355

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6,8-dimethoxyquinazolin-4-yl)amino]phenyl]ethylphosphonous acid?
The IUPAC name of 2-[4-[(6,8-dimethoxyquinazolin-4-yl)amino]phenyl]ethylphosphonous acid (CID 154673036) is 2-[4-[(6,8-dimethoxyquinazolin-4-yl)amino]phenyl]ethylphosphonous acid.
What is the SMILES notation for 2-[4-[(6,8-dimethoxyquinazolin-4-yl)amino]phenyl]ethylphosphonous acid?
The canonical SMILES for 2-[4-[(6,8-dimethoxyquinazolin-4-yl)amino]phenyl]ethylphosphonous acid is COc1cc(OC)c2ncnc(Nc3ccc(CCP(O)O)cc3)c2c1.
What is the InChIKey of 2-[4-[(6,8-dimethoxyquinazolin-4-yl)amino]phenyl]ethylphosphonous acid?
The InChIKey is VCJBJSIOTOAZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N3O4P/c1-24-14-9-15-17(16(10-14)25-2)19-11-20-18(15)21-13-5-3-12(4-6-13)7-8-26(22)23/h3-6,9-11,22-23H,7-8H2,1-2H3,(H,19,20,21).
What are the key properties of 2-[4-[(6,8-dimethoxyquinazolin-4-yl)amino]phenyl]ethylphosphonous acid?
2-[4-[(6,8-dimethoxyquinazolin-4-yl)amino]phenyl]ethylphosphonous acid has a molecular weight of 373.35 g/mol, XLogP of 3.23, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6,8-dimethoxyquinazolin-4-yl)amino]phenyl]ethylphosphonous acid is sourced from PubChem (CID 154673036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).