10-methyl-13,13a-dihydro-6H-quinazolino[2,3-a]phthalazine-5,8-dione

C16H13N3O2 — CID 132538076

IUPAC10-methyl-13,13a-dihydro-6H-quinazolino[2,3-a]phthalazine-5,8-dione
SMILESCc1ccc2c(c1)C(=O)N1NC(=O)c3ccccc3C1N2
InChIInChI=1S/C16H13N3O2/c1-9-6-7-13-12(8-9)16(21)19-14(17-13)10-4-2-3-5-11(10)15(20)18-19/h2-8,14,17H,1H3,(H,18,20)
InChIKeyBJFWSQYBEPDDFC-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.22
Rot. Bonds

About 10-methyl-13,13a-dihydro-6H-quinazolino[2,3-a]phthalazine-5,8-dione

10-methyl-13,13a-dihydro-6H-quinazolino[2,3-a]phthalazine-5,8-dione (PubChem CID 132538076) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 10-methyl-13,13a-dihydro-6H-quinazolino[2,3-a]phthalazine-5,8-dione.

Molecular Properties

Compound Name10-methyl-13,13a-dihydro-6H-quinazolino[2,3-a]phthalazine-5,8-dione
PubChem CID132538076
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name10-methyl-13,13a-dihydro-6H-quinazolino[2,3-a]phthalazine-5,8-dione
SMILESCc1ccc2c(c1)C(=O)N1NC(=O)c3ccccc3C1N2
InChIInChI=1S/C16H13N3O2/c1-9-6-7-13-12(8-9)16(21)19-14(17-13)10-4-2-3-5-11(10)15(20)18-19/h2-8,14,17H,1H3,(H,18,20)
InChIKeyBJFWSQYBEPDDFC-UHFFFAOYSA-N
XLogP2.22
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 10-methyl-13,13a-dihydro-6H-quinazolino[2,3-a]phthalazine-5,8-dione with MolForge

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Related Compounds

2-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)amino]isoindole-1,3-dione
CID 135497959
2-(4-cyclobutylphenyl)-3,6-dimethyl-1,2-dihydroquinazolin-4-one
CID 138057456
2,6-dimethyl-1,2-dihydro-3,1-benzoxazin-4-one
CID 121370933
3,6-dimethyl-2-[2-(pyridin-3-ylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 167887023
(2S)-2-(2-bromophenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 1009305
(2R)-2-(2,4-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 51374346
5-methyl-5,6,13,13a-tetrahydroisoquinolino[1,2-b]quinazolin-8-one
CID 11832285
(2S)-2,3-bis(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 805625
3,4-dimethyl-3,4-dihydro-2H-isoquinolin-1-one
CID 59874658
(3S,4S)-3,4-dimethyl-3,4-dihydro-2H-isoquinolin-1-one
CID 124583389
(1S,12S)-6-methyl-19-oxa-10-azapentacyclo[10.6.1.02,11.03,8.013,18]nonadeca-3(8),4,6,13,15,17-hexaen-9-one
CID 132500764
(1S,12S)-5-methyl-19-oxa-10-azapentacyclo[10.6.1.02,11.03,8.013,18]nonadeca-3(8),4,6,13,15,17-hexaen-9-one
CID 132500756

Frequently Asked Questions

What is the IUPAC name of 10-methyl-13,13a-dihydro-6H-quinazolino[2,3-a]phthalazine-5,8-dione?
The IUPAC name of 10-methyl-13,13a-dihydro-6H-quinazolino[2,3-a]phthalazine-5,8-dione (CID 132538076) is 10-methyl-13,13a-dihydro-6H-quinazolino[2,3-a]phthalazine-5,8-dione.
What is the SMILES notation for 10-methyl-13,13a-dihydro-6H-quinazolino[2,3-a]phthalazine-5,8-dione?
The canonical SMILES for 10-methyl-13,13a-dihydro-6H-quinazolino[2,3-a]phthalazine-5,8-dione is Cc1ccc2c(c1)C(=O)N1NC(=O)c3ccccc3C1N2.
What is the InChIKey of 10-methyl-13,13a-dihydro-6H-quinazolino[2,3-a]phthalazine-5,8-dione?
The InChIKey is BJFWSQYBEPDDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-9-6-7-13-12(8-9)16(21)19-14(17-13)10-4-2-3-5-11(10)15(20)18-19/h2-8,14,17H,1H3,(H,18,20).
What are the key properties of 10-methyl-13,13a-dihydro-6H-quinazolino[2,3-a]phthalazine-5,8-dione?
10-methyl-13,13a-dihydro-6H-quinazolino[2,3-a]phthalazine-5,8-dione has a molecular weight of 279.30 g/mol, XLogP of 2.22, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-13,13a-dihydro-6H-quinazolino[2,3-a]phthalazine-5,8-dione is sourced from PubChem (CID 132538076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).