3,4-dimethyl-1H-[1,2,4,5]tetrazepino[3,2-b]quinazolin-7-one

C12H11N5O — CID 121002801

IUPAC3,4-dimethyl-1H-[1,2,4,5]tetrazepino[3,2-b]quinazolin-7-one
SMILESCC1=NNc2nc3ccccc3c(=O)n2N=C1C
InChIInChI=1S/C12H11N5O/c1-7-8(2)16-17-11(18)9-5-3-4-6-10(9)13-12(17)15-14-7/h3-6H,1-2H3,(H,13,15)
InChIKeyLMEJBUYKHJKYJK-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.42
Rot. Bonds

About 3,4-dimethyl-1H-[1,2,4,5]tetrazepino[3,2-b]quinazolin-7-one

3,4-dimethyl-1H-[1,2,4,5]tetrazepino[3,2-b]quinazolin-7-one (PubChem CID 121002801) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 3,4-dimethyl-1H-[1,2,4,5]tetrazepino[3,2-b]quinazolin-7-one.

Molecular Properties

Compound Name3,4-dimethyl-1H-[1,2,4,5]tetrazepino[3,2-b]quinazolin-7-one
PubChem CID121002801
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name3,4-dimethyl-1H-[1,2,4,5]tetrazepino[3,2-b]quinazolin-7-one
SMILESCC1=NNc2nc3ccccc3c(=O)n2N=C1C
InChIInChI=1S/C12H11N5O/c1-7-8(2)16-17-11(18)9-5-3-4-6-10(9)13-12(17)15-14-7/h3-6H,1-2H3,(H,13,15)
InChIKeyLMEJBUYKHJKYJK-UHFFFAOYSA-N
XLogP1.42
TPSA71.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-propan-2-ylquinazolin-4-one
CID 86167686
5-methylquinolino[2,1-b]quinazolin-12-one
CID 14666352
2-methyl-3-pyrrol-1-ylquinazolin-4-one
CID 15619789
9-methylpyrido[2,1-b]quinazolin-11-one
CID 11321767
(3R)-3-methyl-2,3-dihydro-[1,3]oxazolo[2,3-b]quinazolin-5-one
CID 11367672
2-methyl-3-(4-oxo-2-phenylquinazolin-3-yl)quinazolin-4-one
CID 11245968
3-ethyl-2-phenylquinazolin-4-one
CID 12626608
2-ethyl-3-phenylquinazolin-4-one
CID 719985
CID 164840749
CID 164840749
8,9-dihydro-7H-pyrido[2,1-b]quinazoline-6,11-dione
CID 11275922
3-amino-2H-[1,3,4]thiadiazino[2,3-b]quinazolin-6-one
CID 18592735
2-methylbenzotriazole;2-methyl-3,1-benzoxazin-4-one;2,4,6-trimethyl-1,3,5-triazine
CID 160778652

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1H-[1,2,4,5]tetrazepino[3,2-b]quinazolin-7-one?
The IUPAC name of 3,4-dimethyl-1H-[1,2,4,5]tetrazepino[3,2-b]quinazolin-7-one (CID 121002801) is 3,4-dimethyl-1H-[1,2,4,5]tetrazepino[3,2-b]quinazolin-7-one.
What is the SMILES notation for 3,4-dimethyl-1H-[1,2,4,5]tetrazepino[3,2-b]quinazolin-7-one?
The canonical SMILES for 3,4-dimethyl-1H-[1,2,4,5]tetrazepino[3,2-b]quinazolin-7-one is CC1=NNc2nc3ccccc3c(=O)n2N=C1C.
What is the InChIKey of 3,4-dimethyl-1H-[1,2,4,5]tetrazepino[3,2-b]quinazolin-7-one?
The InChIKey is LMEJBUYKHJKYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-7-8(2)16-17-11(18)9-5-3-4-6-10(9)13-12(17)15-14-7/h3-6H,1-2H3,(H,13,15).
What are the key properties of 3,4-dimethyl-1H-[1,2,4,5]tetrazepino[3,2-b]quinazolin-7-one?
3,4-dimethyl-1H-[1,2,4,5]tetrazepino[3,2-b]quinazolin-7-one has a molecular weight of 241.25 g/mol, XLogP of 1.42, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1H-[1,2,4,5]tetrazepino[3,2-b]quinazolin-7-one is sourced from PubChem (CID 121002801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).