(2-anilino-6-methoxyquinazolin-5-yl) acetate

C17H15N3O3 — CID 141179962

IUPAC(2-anilino-6-methoxyquinazolin-5-yl) acetate
SMILESCOc1ccc2nc(Nc3ccccc3)ncc2c1OC(C)=O
InChIInChI=1S/C17H15N3O3/c1-11(21)23-16-13-10-18-17(19-12-6-4-3-5-7-12)20-14(13)8-9-15(16)22-2/h3-10H,1-2H3,(H,18,19,20)
InChIKeyNCXFUIMVGINLOW-UHFFFAOYSA-N
MW309.33 g/mol
LogP3.31
Rot. Bonds4

About (2-anilino-6-methoxyquinazolin-5-yl) acetate

(2-anilino-6-methoxyquinazolin-5-yl) acetate (PubChem CID 141179962) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is (2-anilino-6-methoxyquinazolin-5-yl) acetate.

Molecular Properties

Compound Name(2-anilino-6-methoxyquinazolin-5-yl) acetate
PubChem CID141179962
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name(2-anilino-6-methoxyquinazolin-5-yl) acetate
SMILESCOc1ccc2nc(Nc3ccccc3)ncc2c1OC(C)=O
InChIInChI=1S/C17H15N3O3/c1-11(21)23-16-13-10-18-17(19-12-6-4-3-5-7-12)20-14(13)8-9-15(16)22-2/h3-10H,1-2H3,(H,18,19,20)
InChIKeyNCXFUIMVGINLOW-UHFFFAOYSA-N
XLogP3.31
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-6-methyl-N-phenylquinazolin-2-amine
CID 70864218
1-N-benzyl-4-N-(6,7-dimethoxyquinazolin-2-yl)benzene-1,4-diamine
CID 67698095
2-anilino-N-(2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide
CID 109265216
5-fluoro-4-methoxy-N-phenylpyrimidin-2-amine
CID 121221051
(2-acetyloxy-3-methoxyphenyl) acetate
CID 11564821
(3-bromo-2,6-dimethoxyphenyl) acetate
CID 91102883
4-anilino-6,7-dimethoxy-N-methylquinoline-3-carboxamide
CID 127029779
(7R)-2-anilino-7-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 41386591
4-anilino-2-[(2,3-dimethoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 71237726
(4-methoxy-2-methyl-3-pyridinyl) acetate
CID 139337452
4-(2-anilinoquinazolin-6-yl)oxy-N-methylpyridine-2-carboxamide
CID 57399505
(2-chloro-3-formyl-6-methoxyphenyl) acetate
CID 14450993

Frequently Asked Questions

What is the IUPAC name of (2-anilino-6-methoxyquinazolin-5-yl) acetate?
The IUPAC name of (2-anilino-6-methoxyquinazolin-5-yl) acetate (CID 141179962) is (2-anilino-6-methoxyquinazolin-5-yl) acetate.
What is the SMILES notation for (2-anilino-6-methoxyquinazolin-5-yl) acetate?
The canonical SMILES for (2-anilino-6-methoxyquinazolin-5-yl) acetate is COc1ccc2nc(Nc3ccccc3)ncc2c1OC(C)=O.
What is the InChIKey of (2-anilino-6-methoxyquinazolin-5-yl) acetate?
The InChIKey is NCXFUIMVGINLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-11(21)23-16-13-10-18-17(19-12-6-4-3-5-7-12)20-14(13)8-9-15(16)22-2/h3-10H,1-2H3,(H,18,19,20).
What are the key properties of (2-anilino-6-methoxyquinazolin-5-yl) acetate?
(2-anilino-6-methoxyquinazolin-5-yl) acetate has a molecular weight of 309.33 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-6-methoxyquinazolin-5-yl) acetate is sourced from PubChem (CID 141179962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).