2-(1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-8-carbonyl)-3H-quinazolin-4-one

C18H20N4O3 — CID 136930387

IUPAC2-(1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-8-carbonyl)-3H-quinazolin-4-one
SMILESCN1C(=O)CCC12CCN(C(=O)c1nc3ccccc3c(=O)[nH]1)CC2
InChIInChI=1S/C18H20N4O3/c1-21-14(23)6-7-18(21)8-10-22(11-9-18)17(25)15-19-13-5-3-2-4-12(13)16(24)20-15/h2-5H,6-11H2,1H3,(H,19,20,24)
InChIKeyOOFVYXKHQLNNDE-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.15
Rot. Bonds1

About 2-(1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-8-carbonyl)-3H-quinazolin-4-one

2-(1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-8-carbonyl)-3H-quinazolin-4-one (PubChem CID 136930387) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-(1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-8-carbonyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-8-carbonyl)-3H-quinazolin-4-one
PubChem CID136930387
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name2-(1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-8-carbonyl)-3H-quinazolin-4-one
SMILESCN1C(=O)CCC12CCN(C(=O)c1nc3ccccc3c(=O)[nH]1)CC2
InChIInChI=1S/C18H20N4O3/c1-21-14(23)6-7-18(21)8-10-22(11-9-18)17(25)15-19-13-5-3-2-4-12(13)16(24)20-15/h2-5H,6-11H2,1H3,(H,19,20,24)
InChIKeyOOFVYXKHQLNNDE-UHFFFAOYSA-N
XLogP1.15
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-8-carbonyl)-3H-quinazolin-4-one with MolForge

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Related Compounds

2-(4-acetylpiperazine-1-carbonyl)-3H-quinazolin-4-one
CID 135966308
2-[(3R,4R)-3,4-dihydroxy-4-methylpiperidine-1-carbonyl]-3H-quinazolin-4-one
CID 137248565
2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3H-quinazolin-4-one
CID 135908349
2-(4-pyridin-2-ylpiperazine-1-carbonyl)-3H-quinazolin-4-one
CID 135877794
2-(3-hydroxy-4-methylpiperidine-1-carbonyl)-3H-quinazolin-4-one
CID 136911292
2-(4-phenylpiperazine-1-carbonyl)-3H-quinazolin-4-one;2,2,2-trifluoroacetic acid
CID 154890246
2-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-3H-quinazolin-4-one
CID 135885511
(9aS)-8-methyl-2-(4-oxo-3H-quinazoline-2-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 136697837
2-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-3H-quinazolin-4-one
CID 135895971
8a-ethyl-7-(4-oxo-3H-quinazoline-2-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146046870
2-[(3S)-3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3H-quinazolin-4-one
CID 136743347
2-cyclopentyl-N-[[1-(4-oxo-3H-quinazoline-2-carbonyl)piperidin-4-yl]methyl]acetamide
CID 137200046

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-8-carbonyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-8-carbonyl)-3H-quinazolin-4-one (CID 136930387) is 2-(1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-8-carbonyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-8-carbonyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-8-carbonyl)-3H-quinazolin-4-one is CN1C(=O)CCC12CCN(C(=O)c1nc3ccccc3c(=O)[nH]1)CC2.
What is the InChIKey of 2-(1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-8-carbonyl)-3H-quinazolin-4-one?
The InChIKey is OOFVYXKHQLNNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-21-14(23)6-7-18(21)8-10-22(11-9-18)17(25)15-19-13-5-3-2-4-12(13)16(24)20-15/h2-5H,6-11H2,1H3,(H,19,20,24).
What are the key properties of 2-(1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-8-carbonyl)-3H-quinazolin-4-one?
2-(1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-8-carbonyl)-3H-quinazolin-4-one has a molecular weight of 340.38 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-8-carbonyl)-3H-quinazolin-4-one is sourced from PubChem (CID 136930387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).