1,6-dimethyl-7H-[1,3]oxazolo[4,5-g]quinazoline-2,8-dione

C11H9N3O3 — CID 156548217

IUPAC1,6-dimethyl-7H-[1,3]oxazolo[4,5-g]quinazoline-2,8-dione
SMILESCc1nc2cc3oc(=O)n(C)c3cc2c(=O)[nH]1
InChIInChI=1S/C11H9N3O3/c1-5-12-7-4-9-8(14(2)11(16)17-9)3-6(7)10(15)13-5/h3-4H,1-2H3,(H,12,13,15)
InChIKeyYHPNFYMMLGMGOW-UHFFFAOYSA-N
MW231.21 g/mol
LogP0.68
Rot. Bonds

About 1,6-dimethyl-7H-[1,3]oxazolo[4,5-g]quinazoline-2,8-dione

1,6-dimethyl-7H-[1,3]oxazolo[4,5-g]quinazoline-2,8-dione (PubChem CID 156548217) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is 1,6-dimethyl-7H-[1,3]oxazolo[4,5-g]quinazoline-2,8-dione.

Molecular Properties

Compound Name1,6-dimethyl-7H-[1,3]oxazolo[4,5-g]quinazoline-2,8-dione
PubChem CID156548217
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name1,6-dimethyl-7H-[1,3]oxazolo[4,5-g]quinazoline-2,8-dione
SMILESCc1nc2cc3oc(=O)n(C)c3cc2c(=O)[nH]1
InChIInChI=1S/C11H9N3O3/c1-5-12-7-4-9-8(14(2)11(16)17-9)3-6(7)10(15)13-5/h3-4H,1-2H3,(H,12,13,15)
InChIKeyYHPNFYMMLGMGOW-UHFFFAOYSA-N
XLogP0.68
TPSA80.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6,9-trimethyl-3H-pyrazino[2,3-g]quinazoline-4,7,8-trione
CID 156537248
6,7-difluoro-2-methyl-3H-quinazolin-4-one
CID 135742282
CID 177158828
CID 177158828
6-iodo-2-methyl-7-propan-2-yl-3H-quinazolin-4-one
CID 135428135
ethane;2-methyl-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-4-one
CID 142217588
6-bromo-7-fluoro-2-methyl-3H-quinazolin-4-one
CID 136675677
7-iodo-2-methyl-3H-quinazolin-4-one
CID 135742316
6-(dimethylamino)-7-fluoro-2-methyl-3H-quinazolin-4-one
CID 165489014
5,6-dichloro-3-methyl-1,3-benzoxazol-2-one
CID 82184528
3-methyl-6-(2-methyl-1H-imidazol-5-yl)-1,3-benzoxazol-2-one
CID 116883887
(6-fluoro-2-methyl-4-oxo-3H-quinazolin-7-yl)boronic acid
CID 166092343
3,5-dimethyl-1,3-benzoxazol-2-one
CID 13117589

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-7H-[1,3]oxazolo[4,5-g]quinazoline-2,8-dione?
The IUPAC name of 1,6-dimethyl-7H-[1,3]oxazolo[4,5-g]quinazoline-2,8-dione (CID 156548217) is 1,6-dimethyl-7H-[1,3]oxazolo[4,5-g]quinazoline-2,8-dione.
What is the SMILES notation for 1,6-dimethyl-7H-[1,3]oxazolo[4,5-g]quinazoline-2,8-dione?
The canonical SMILES for 1,6-dimethyl-7H-[1,3]oxazolo[4,5-g]quinazoline-2,8-dione is Cc1nc2cc3oc(=O)n(C)c3cc2c(=O)[nH]1.
What is the InChIKey of 1,6-dimethyl-7H-[1,3]oxazolo[4,5-g]quinazoline-2,8-dione?
The InChIKey is YHPNFYMMLGMGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c1-5-12-7-4-9-8(14(2)11(16)17-9)3-6(7)10(15)13-5/h3-4H,1-2H3,(H,12,13,15).
What are the key properties of 1,6-dimethyl-7H-[1,3]oxazolo[4,5-g]quinazoline-2,8-dione?
1,6-dimethyl-7H-[1,3]oxazolo[4,5-g]quinazoline-2,8-dione has a molecular weight of 231.21 g/mol, XLogP of 0.68, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-7H-[1,3]oxazolo[4,5-g]quinazoline-2,8-dione is sourced from PubChem (CID 156548217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).