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

C12H11ClN2O3 — CID 135432195

IUPAC(7-chloro-6-methyl-4-oxo-3H-quinazolin-2-yl)methyl acetate
SMILESCC(=O)OCc1nc2cc(Cl)c(C)cc2c(=O)[nH]1
InChIInChI=1S/C12H11ClN2O3/c1-6-3-8-10(4-9(6)13)14-11(15-12(8)17)5-18-7(2)16/h3-4H,5H2,1-2H3,(H,14,15,17)
InChIKeyUGKAUSCIOSAKBG-UHFFFAOYSA-N
MW266.68 g/mol
LogP1.95
Rot. Bonds2

About (7-chloro-6-methyl-4-oxo-3H-quinazolin-2-yl)methyl acetate

(7-chloro-6-methyl-4-oxo-3H-quinazolin-2-yl)methyl acetate (PubChem CID 135432195) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is (7-chloro-6-methyl-4-oxo-3H-quinazolin-2-yl)methyl acetate.

Molecular Properties

Compound Name(7-chloro-6-methyl-4-oxo-3H-quinazolin-2-yl)methyl acetate
PubChem CID135432195
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Name(7-chloro-6-methyl-4-oxo-3H-quinazolin-2-yl)methyl acetate
SMILESCC(=O)OCc1nc2cc(Cl)c(C)cc2c(=O)[nH]1
InChIInChI=1S/C12H11ClN2O3/c1-6-3-8-10(4-9(6)13)14-11(15-12(8)17)5-18-7(2)16/h3-4H,5H2,1-2H3,(H,14,15,17)
InChIKeyUGKAUSCIOSAKBG-UHFFFAOYSA-N
XLogP1.95
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-methyl-4-oxo-3H-quinazolin-2-yl)methyl acetate
CID 135411171
(6-methoxy-4-oxo-3H-quinazolin-2-yl)methyl acetate
CID 156870481
methyl 4-oxo-2-[(2,4,5-trichlorophenoxy)methyl]-3H-quinazoline-7-carboxylate
CID 135887550
(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate
CID 135850080
(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 3-hydroxynaphthalene-2-carboxylate
CID 135850152
2,7-bis(chloromethyl)-3,8-dihydropyrimido[4,5-g]quinazoline-4,9-dione
CID 135437105
methyl 2-[(2,5-dichlorophenoxy)methyl]-4-oxo-3H-quinazoline-7-carboxylate
CID 135836476
methyl 2-[(3-methylfuran-2-carbonyl)oxymethyl]-4-oxo-3H-quinazoline-7-carboxylate
CID 135687200
methyl 2-[(2,3-dimethylbenzoyl)oxymethyl]-4-oxo-3H-quinazoline-7-carboxylate
CID 135549131
(4-oxo-3H-quinazolin-2-yl)methyl 2,3-dimethylbenzoate
CID 135473691
(4-oxo-3H-quinazolin-2-yl)methyl 4-chlorobenzoate
CID 135734942
(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate
CID 135729976

Frequently Asked Questions

What is the IUPAC name of (7-chloro-6-methyl-4-oxo-3H-quinazolin-2-yl)methyl acetate?
The IUPAC name of (7-chloro-6-methyl-4-oxo-3H-quinazolin-2-yl)methyl acetate (CID 135432195) is (7-chloro-6-methyl-4-oxo-3H-quinazolin-2-yl)methyl acetate.
What is the SMILES notation for (7-chloro-6-methyl-4-oxo-3H-quinazolin-2-yl)methyl acetate?
The canonical SMILES for (7-chloro-6-methyl-4-oxo-3H-quinazolin-2-yl)methyl acetate is CC(=O)OCc1nc2cc(Cl)c(C)cc2c(=O)[nH]1.
What is the InChIKey of (7-chloro-6-methyl-4-oxo-3H-quinazolin-2-yl)methyl acetate?
The InChIKey is UGKAUSCIOSAKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c1-6-3-8-10(4-9(6)13)14-11(15-12(8)17)5-18-7(2)16/h3-4H,5H2,1-2H3,(H,14,15,17).
What are the key properties of (7-chloro-6-methyl-4-oxo-3H-quinazolin-2-yl)methyl acetate?
(7-chloro-6-methyl-4-oxo-3H-quinazolin-2-yl)methyl acetate has a molecular weight of 266.68 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-6-methyl-4-oxo-3H-quinazolin-2-yl)methyl acetate is sourced from PubChem (CID 135432195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).