5a-methyl-3,4,5,6-tetrahydro-1H-diazepino[7,1-b]quinazoline-2,11-dione

C13H15N3O2 — CID 57387507

IUPAC5a-methyl-3,4,5,6-tetrahydro-1H-diazepino[7,1-b]quinazoline-2,11-dione
SMILESCC12CCCC(=O)NN1C(=O)c1ccccc1N2
InChIInChI=1S/C13H15N3O2/c1-13-8-4-7-11(17)15-16(13)12(18)9-5-2-3-6-10(9)14-13/h2-3,5-6,14H,4,7-8H2,1H3,(H,15,17)
InChIKeySNLZUOLHUQUNQY-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.49
Rot. Bonds

About 5a-methyl-3,4,5,6-tetrahydro-1H-diazepino[7,1-b]quinazoline-2,11-dione

5a-methyl-3,4,5,6-tetrahydro-1H-diazepino[7,1-b]quinazoline-2,11-dione (PubChem CID 57387507) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 5a-methyl-3,4,5,6-tetrahydro-1H-diazepino[7,1-b]quinazoline-2,11-dione.

Molecular Properties

Compound Name5a-methyl-3,4,5,6-tetrahydro-1H-diazepino[7,1-b]quinazoline-2,11-dione
PubChem CID57387507
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name5a-methyl-3,4,5,6-tetrahydro-1H-diazepino[7,1-b]quinazoline-2,11-dione
SMILESCC12CCCC(=O)NN1C(=O)c1ccccc1N2
InChIInChI=1S/C13H15N3O2/c1-13-8-4-7-11(17)15-16(13)12(18)9-5-2-3-6-10(9)14-13/h2-3,5-6,14H,4,7-8H2,1H3,(H,15,17)
InChIKeySNLZUOLHUQUNQY-UHFFFAOYSA-N
XLogP1.49
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5a-methyl-3,4,5,6-tetrahydro-1H-diazepino[7,1-b]quinazoline-2,11-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethylspiro[1H-quinazoline-2,1'-cyclopentane]-4-one
CID 3780177
3-(dimethylamino)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one
CID 134116644
1',3-dimethylspiro[1H-quinazoline-2,4'-piperidine]-4-one
CID 134113619
3-cyclopentylspiro[1H-quinazoline-2,4'-thiane]-4-one
CID 9299993
3-butan-2-yl-2,2-dimethyl-1H-quinazolin-4-one
CID 54779141
2-(3-methylazetidin-3-yl)isoindole-1,3-dione
CID 131014758
3-(5-methyl-1H-pyrazol-3-yl)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one
CID 132917833
2,2-dimethyl-1,3-dihydroquinazolin-4-one
CID 595161
1-(2,2-dimethyl-1H-quinolin-4-yl)pyrrolidin-2-one
CID 154335214
2-tert-butyl-2-methyl-3-prop-2-enyl-1H-quinazolin-4-one
CID 54779575
2,4-dimethyl-2-(4-nitrophenyl)-1,3-dihydro-1,3,4-benzotriazepin-5-one
CID 10686540
2-(4-methoxyphenyl)-2,4-dimethyl-1,3-dihydro-1,3,4-benzotriazepin-5-one
CID 10732770

Frequently Asked Questions

What is the IUPAC name of 5a-methyl-3,4,5,6-tetrahydro-1H-diazepino[7,1-b]quinazoline-2,11-dione?
The IUPAC name of 5a-methyl-3,4,5,6-tetrahydro-1H-diazepino[7,1-b]quinazoline-2,11-dione (CID 57387507) is 5a-methyl-3,4,5,6-tetrahydro-1H-diazepino[7,1-b]quinazoline-2,11-dione.
What is the SMILES notation for 5a-methyl-3,4,5,6-tetrahydro-1H-diazepino[7,1-b]quinazoline-2,11-dione?
The canonical SMILES for 5a-methyl-3,4,5,6-tetrahydro-1H-diazepino[7,1-b]quinazoline-2,11-dione is CC12CCCC(=O)NN1C(=O)c1ccccc1N2.
What is the InChIKey of 5a-methyl-3,4,5,6-tetrahydro-1H-diazepino[7,1-b]quinazoline-2,11-dione?
The InChIKey is SNLZUOLHUQUNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-13-8-4-7-11(17)15-16(13)12(18)9-5-2-3-6-10(9)14-13/h2-3,5-6,14H,4,7-8H2,1H3,(H,15,17).
What are the key properties of 5a-methyl-3,4,5,6-tetrahydro-1H-diazepino[7,1-b]quinazoline-2,11-dione?
5a-methyl-3,4,5,6-tetrahydro-1H-diazepino[7,1-b]quinazoline-2,11-dione has a molecular weight of 245.28 g/mol, XLogP of 1.49, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5a-methyl-3,4,5,6-tetrahydro-1H-diazepino[7,1-b]quinazoline-2,11-dione is sourced from PubChem (CID 57387507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).