(6-methoxy-4-oxo-3H-quinazolin-2-yl)methyl acetate

C12H12N2O4 — CID 156870481

IUPAC(6-methoxy-4-oxo-3H-quinazolin-2-yl)methyl acetate
SMILESCOc1ccc2nc(COC(C)=O)[nH]c(=O)c2c1
InChIInChI=1S/C12H12N2O4/c1-7(15)18-6-11-13-10-4-3-8(17-2)5-9(10)12(16)14-11/h3-5H,6H2,1-2H3,(H,13,14,16)
InChIKeyTVWLSKLPKFQVHQ-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.99
Rot. Bonds3

About (6-methoxy-4-oxo-3H-quinazolin-2-yl)methyl acetate

(6-methoxy-4-oxo-3H-quinazolin-2-yl)methyl acetate (PubChem CID 156870481) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is (6-methoxy-4-oxo-3H-quinazolin-2-yl)methyl acetate.

Molecular Properties

Compound Name(6-methoxy-4-oxo-3H-quinazolin-2-yl)methyl acetate
PubChem CID156870481
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name(6-methoxy-4-oxo-3H-quinazolin-2-yl)methyl acetate
SMILESCOc1ccc2nc(COC(C)=O)[nH]c(=O)c2c1
InChIInChI=1S/C12H12N2O4/c1-7(15)18-6-11-13-10-4-3-8(17-2)5-9(10)12(16)14-11/h3-5H,6H2,1-2H3,(H,13,14,16)
InChIKeyTVWLSKLPKFQVHQ-UHFFFAOYSA-N
XLogP0.99
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6-methyl-4-oxo-3H-quinazolin-2-yl)methyl acetate
CID 135411171
(7-chloro-6-methyl-4-oxo-3H-quinazolin-2-yl)methyl acetate
CID 135432195
6-methoxy-2-methyl-3H-quinazolin-4-one
CID 135449497
3-[(6-methoxy-4-oxo-3H-quinazolin-2-yl)methoxy]benzonitrile
CID 156870480
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-methoxy-3H-quinazolin-4-one
CID 166196697
2-(ethylamino)-6-methoxy-3H-quinazolin-4-one
CID 137287759
2-(chloromethyl)-6-(2-methoxyethoxy)-3H-quinazolin-4-one
CID 156870415
6-methoxy-2-[[(3S)-3-methyl-2,3-dihydroindol-1-yl]methyl]-3H-quinazolin-4-one
CID 166771415
2-(chloromethyl)-6-propan-2-yloxy-3H-quinazolin-4-one
CID 156870356
6-(difluoromethoxy)-2-ethyl-3H-quinazolin-4-one
CID 143751543
2-(2,3-dihydroindol-1-ylmethyl)-6-methoxy-3H-quinazolin-4-one
CID 166771395
(7-methoxy-4-oxo-3H-quinazolin-2-yl) acetate
CID 136506166

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-4-oxo-3H-quinazolin-2-yl)methyl acetate?
The IUPAC name of (6-methoxy-4-oxo-3H-quinazolin-2-yl)methyl acetate (CID 156870481) is (6-methoxy-4-oxo-3H-quinazolin-2-yl)methyl acetate.
What is the SMILES notation for (6-methoxy-4-oxo-3H-quinazolin-2-yl)methyl acetate?
The canonical SMILES for (6-methoxy-4-oxo-3H-quinazolin-2-yl)methyl acetate is COc1ccc2nc(COC(C)=O)[nH]c(=O)c2c1.
What is the InChIKey of (6-methoxy-4-oxo-3H-quinazolin-2-yl)methyl acetate?
The InChIKey is TVWLSKLPKFQVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-7(15)18-6-11-13-10-4-3-8(17-2)5-9(10)12(16)14-11/h3-5H,6H2,1-2H3,(H,13,14,16).
What are the key properties of (6-methoxy-4-oxo-3H-quinazolin-2-yl)methyl acetate?
(6-methoxy-4-oxo-3H-quinazolin-2-yl)methyl acetate has a molecular weight of 248.24 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-4-oxo-3H-quinazolin-2-yl)methyl acetate is sourced from PubChem (CID 156870481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).