3-[1-(azepan-1-yl)-1-oxobutan-2-yl]-1H-quinazoline-2,4-dione

C18H23N3O3 — CID 4905275

IUPAC3-[1-(azepan-1-yl)-1-oxobutan-2-yl]-1H-quinazoline-2,4-dione
SMILESCCC(C(=O)N1CCCCCC1)n1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C18H23N3O3/c1-2-15(17(23)20-11-7-3-4-8-12-20)21-16(22)13-9-5-6-10-14(13)19-18(21)24/h5-6,9-10,15H,2-4,7-8,11-12H2,1H3,(H,19,24)
InChIKeyUNMIGJIQFBTQLI-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.04
Rot. Bonds3

About 3-[1-(azepan-1-yl)-1-oxobutan-2-yl]-1H-quinazoline-2,4-dione

3-[1-(azepan-1-yl)-1-oxobutan-2-yl]-1H-quinazoline-2,4-dione (PubChem CID 4905275) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-[1-(azepan-1-yl)-1-oxobutan-2-yl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[1-(azepan-1-yl)-1-oxobutan-2-yl]-1H-quinazoline-2,4-dione
PubChem CID4905275
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name3-[1-(azepan-1-yl)-1-oxobutan-2-yl]-1H-quinazoline-2,4-dione
SMILESCCC(C(=O)N1CCCCCC1)n1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C18H23N3O3/c1-2-15(17(23)20-11-7-3-4-8-12-20)21-16(22)13-9-5-6-10-14(13)19-18(21)24/h5-6,9-10,15H,2-4,7-8,11-12H2,1H3,(H,19,24)
InChIKeyUNMIGJIQFBTQLI-UHFFFAOYSA-N
XLogP2.04
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[1-(azepan-1-yl)-1-oxobutan-2-yl]-1H-quinazoline-2,4-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-[1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxobutan-2-yl]-1H-quinazoline-2,4-dione
CID 4906314
3-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)-1H-quinazoline-2,4-dione
CID 4899772
N-(2-bromophenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 4907704
3-methyl-5-[(2R)-1-oxo-1-piperidin-1-ylbutan-2-yl]pyridazino[4,5-b]indol-4-one
CID 95059380
methyl 2-(2,4-dioxo-1H-quinazolin-3-yl)pentanoate
CID 68726339
3-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-1H-quinazoline-2,4-dione
CID 4911305
(2S)-1-[(2R)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 51427997
1-[2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]amino]-3-phenylpropanoyl]piperidine-4-carboxylic acid
CID 162946945
3-[4-(azepan-1-yl)-4-oxobutyl]-1H-quinazoline-2,4-dione
CID 4905579
(2S)-1-[(2S,3R)-2-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid
CID 95372770
N-(1,3-benzothiazol-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 4904222
(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methylsulfanyl-N-propan-2-ylbutanamide
CID 125430947

Frequently Asked Questions

What is the IUPAC name of 3-[1-(azepan-1-yl)-1-oxobutan-2-yl]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[1-(azepan-1-yl)-1-oxobutan-2-yl]-1H-quinazoline-2,4-dione (CID 4905275) is 3-[1-(azepan-1-yl)-1-oxobutan-2-yl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[1-(azepan-1-yl)-1-oxobutan-2-yl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[1-(azepan-1-yl)-1-oxobutan-2-yl]-1H-quinazoline-2,4-dione is CCC(C(=O)N1CCCCCC1)n1c(=O)[nH]c2ccccc2c1=O.
What is the InChIKey of 3-[1-(azepan-1-yl)-1-oxobutan-2-yl]-1H-quinazoline-2,4-dione?
The InChIKey is UNMIGJIQFBTQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-2-15(17(23)20-11-7-3-4-8-12-20)21-16(22)13-9-5-6-10-14(13)19-18(21)24/h5-6,9-10,15H,2-4,7-8,11-12H2,1H3,(H,19,24).
What are the key properties of 3-[1-(azepan-1-yl)-1-oxobutan-2-yl]-1H-quinazoline-2,4-dione?
3-[1-(azepan-1-yl)-1-oxobutan-2-yl]-1H-quinazoline-2,4-dione has a molecular weight of 329.40 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(azepan-1-yl)-1-oxobutan-2-yl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 4905275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).