6,13-dimethyl-13aH-quinazolino[2,3-a]phthalazine-5,8-dione

C17H15N3O2 — CID 91703871

IUPAC6,13-dimethyl-13aH-quinazolino[2,3-a]phthalazine-5,8-dione
SMILESCN1c2ccccc2C(=O)N2C1c1ccccc1C(=O)N2C
InChIInChI=1S/C17H15N3O2/c1-18-14-10-6-5-9-13(14)17(22)20-15(18)11-7-3-4-8-12(11)16(21)19(20)2/h3-10,15H,1-2H3
InChIKeyCYEJINHSGXBMHO-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.28
Rot. Bonds

About 6,13-dimethyl-13aH-quinazolino[2,3-a]phthalazine-5,8-dione

6,13-dimethyl-13aH-quinazolino[2,3-a]phthalazine-5,8-dione (PubChem CID 91703871) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 6,13-dimethyl-13aH-quinazolino[2,3-a]phthalazine-5,8-dione.

Molecular Properties

Compound Name6,13-dimethyl-13aH-quinazolino[2,3-a]phthalazine-5,8-dione
PubChem CID91703871
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name6,13-dimethyl-13aH-quinazolino[2,3-a]phthalazine-5,8-dione
SMILESCN1c2ccccc2C(=O)N2C1c1ccccc1C(=O)N2C
InChIInChI=1S/C17H15N3O2/c1-18-14-10-6-5-9-13(14)17(22)20-15(18)11-7-3-4-8-12(11)16(21)19(20)2/h3-10,15H,1-2H3
InChIKeyCYEJINHSGXBMHO-UHFFFAOYSA-N
XLogP2.28
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-1,3-dimethyl-2H-quinazolin-4-one
CID 3121405
2-(4-fluorophenyl)-1,3-dimethyl-2H-quinazolin-4-one
CID 3121410
(2S)-2-(4-hydroxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one
CID 7106412
(6aS)-6-(dimethylamino)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
CID 7353211
(2R)-1,3-dimethyl-2-[1-(2-methylphenyl)pyrrol-3-yl]-2H-quinazolin-4-one
CID 99965075
6-(2-fluorophenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
CID 3812393
(2R)-2-[1-(2-ethylphenyl)pyrrol-3-yl]-1,3-dimethyl-2H-quinazolin-4-one
CID 99965132
3-hydroxy-2-(2-prop-1-en-2-ylphenyl)-3H-isoindol-1-one
CID 10491926
2-methyl-1a,7b-dihydro-1H-cyclopropa[c]isoquinolin-3-one
CID 121006099
(2S)-1,3-dimethyl-2-[1-(4-methylphenyl)pyrrol-3-yl]-2H-quinazolin-4-one
CID 99965084
(2S)-2-(3,4-dimethoxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one
CID 7386974
(6aS)-6-(4-methoxyphenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
CID 40715931

Frequently Asked Questions

What is the IUPAC name of 6,13-dimethyl-13aH-quinazolino[2,3-a]phthalazine-5,8-dione?
The IUPAC name of 6,13-dimethyl-13aH-quinazolino[2,3-a]phthalazine-5,8-dione (CID 91703871) is 6,13-dimethyl-13aH-quinazolino[2,3-a]phthalazine-5,8-dione.
What is the SMILES notation for 6,13-dimethyl-13aH-quinazolino[2,3-a]phthalazine-5,8-dione?
The canonical SMILES for 6,13-dimethyl-13aH-quinazolino[2,3-a]phthalazine-5,8-dione is CN1c2ccccc2C(=O)N2C1c1ccccc1C(=O)N2C.
What is the InChIKey of 6,13-dimethyl-13aH-quinazolino[2,3-a]phthalazine-5,8-dione?
The InChIKey is CYEJINHSGXBMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-18-14-10-6-5-9-13(14)17(22)20-15(18)11-7-3-4-8-12(11)16(21)19(20)2/h3-10,15H,1-2H3.
What are the key properties of 6,13-dimethyl-13aH-quinazolino[2,3-a]phthalazine-5,8-dione?
6,13-dimethyl-13aH-quinazolino[2,3-a]phthalazine-5,8-dione has a molecular weight of 293.33 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,13-dimethyl-13aH-quinazolino[2,3-a]phthalazine-5,8-dione is sourced from PubChem (CID 91703871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).