3-ethyl-7-(9-methyl-6-azaspiro[3.5]nonane-6-carbonyl)-1H-quinazoline-2,4-dione

C20H25N3O3 — CID 127729496

IUPAC3-ethyl-7-(9-methyl-6-azaspiro[3.5]nonane-6-carbonyl)-1H-quinazoline-2,4-dione
SMILESCCn1c(=O)[nH]c2cc(C(=O)N3CCC(C)C4(CCC4)C3)ccc2c1=O
InChIInChI=1S/C20H25N3O3/c1-3-23-18(25)15-6-5-14(11-16(15)21-19(23)26)17(24)22-10-7-13(2)20(12-22)8-4-9-20/h5-6,11,13H,3-4,7-10,12H2,1-2H3,(H,21,26)
InChIKeyDIQJOEMKQXNCQU-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.36
Rot. Bonds2

About 3-ethyl-7-(9-methyl-6-azaspiro[3.5]nonane-6-carbonyl)-1H-quinazoline-2,4-dione

3-ethyl-7-(9-methyl-6-azaspiro[3.5]nonane-6-carbonyl)-1H-quinazoline-2,4-dione (PubChem CID 127729496) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-ethyl-7-(9-methyl-6-azaspiro[3.5]nonane-6-carbonyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-ethyl-7-(9-methyl-6-azaspiro[3.5]nonane-6-carbonyl)-1H-quinazoline-2,4-dione
PubChem CID127729496
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name3-ethyl-7-(9-methyl-6-azaspiro[3.5]nonane-6-carbonyl)-1H-quinazoline-2,4-dione
SMILESCCn1c(=O)[nH]c2cc(C(=O)N3CCC(C)C4(CCC4)C3)ccc2c1=O
InChIInChI=1S/C20H25N3O3/c1-3-23-18(25)15-6-5-14(11-16(15)21-19(23)26)17(24)22-10-7-13(2)20(12-22)8-4-9-20/h5-6,11,13H,3-4,7-10,12H2,1-2H3,(H,21,26)
InChIKeyDIQJOEMKQXNCQU-UHFFFAOYSA-N
XLogP2.36
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-7-(9-methyl-6-azaspiro[3.5]nonane-6-carbonyl)-1H-quinazoline-2,4-dione with MolForge

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Related Compounds

1-(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)piperidine-4-carboxylic acid
CID 119166689
3-ethyl-7-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinazoline-2,4-dione;hydrochloride
CID 119539121
3-ethyl-7-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinazoline-2,4-dione
CID 119649230
3-ethyl-7-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]-1H-quinazoline-2,4-dione
CID 55827425
7-[4-(3-aminopropoxy)piperidine-1-carbonyl]-3-ethyl-1H-quinazoline-2,4-dione;hydrochloride
CID 119662095
(2S)-1-(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)piperidine-2-carboxylic acid
CID 125132965
7-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-1-carbonyl]-3-ethyl-1H-quinazoline-2,4-dione
CID 55813211
7-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-3-ethyl-1H-quinazoline-2,4-dione
CID 52659839
3-ethyl-N-[(3R)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 166367509
7-(azepane-1-carbonyl)-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one
CID 27659116
7-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-3-ethyl-1H-quinazoline-2,4-dione
CID 52535540
3-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 136580955

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-(9-methyl-6-azaspiro[3.5]nonane-6-carbonyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 3-ethyl-7-(9-methyl-6-azaspiro[3.5]nonane-6-carbonyl)-1H-quinazoline-2,4-dione (CID 127729496) is 3-ethyl-7-(9-methyl-6-azaspiro[3.5]nonane-6-carbonyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-ethyl-7-(9-methyl-6-azaspiro[3.5]nonane-6-carbonyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-ethyl-7-(9-methyl-6-azaspiro[3.5]nonane-6-carbonyl)-1H-quinazoline-2,4-dione is CCn1c(=O)[nH]c2cc(C(=O)N3CCC(C)C4(CCC4)C3)ccc2c1=O.
What is the InChIKey of 3-ethyl-7-(9-methyl-6-azaspiro[3.5]nonane-6-carbonyl)-1H-quinazoline-2,4-dione?
The InChIKey is DIQJOEMKQXNCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-3-23-18(25)15-6-5-14(11-16(15)21-19(23)26)17(24)22-10-7-13(2)20(12-22)8-4-9-20/h5-6,11,13H,3-4,7-10,12H2,1-2H3,(H,21,26).
What are the key properties of 3-ethyl-7-(9-methyl-6-azaspiro[3.5]nonane-6-carbonyl)-1H-quinazoline-2,4-dione?
3-ethyl-7-(9-methyl-6-azaspiro[3.5]nonane-6-carbonyl)-1H-quinazoline-2,4-dione has a molecular weight of 355.44 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-(9-methyl-6-azaspiro[3.5]nonane-6-carbonyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 127729496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).