3-methyl-7-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene-9-carbonyl)quinazolin-4-one

C20H23N3O3 — CID 135104063

IUPAC3-methyl-7-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene-9-carbonyl)quinazolin-4-one
SMILESCC1=CC2(CCN(C(=O)c3ccc4c(=O)n(C)cnc4c3)CC2)OCC1
InChIInChI=1S/C20H23N3O3/c1-14-5-10-26-20(12-14)6-8-23(9-7-20)18(24)15-3-4-16-17(11-15)21-13-22(2)19(16)25/h3-4,11-13H,5-10H2,1-2H3
InChIKeyTYGUJKHQYTWXET-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.27
Rot. Bonds1

About 3-methyl-7-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene-9-carbonyl)quinazolin-4-one

3-methyl-7-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene-9-carbonyl)quinazolin-4-one (PubChem CID 135104063) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 3-methyl-7-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene-9-carbonyl)quinazolin-4-one.

Molecular Properties

Compound Name3-methyl-7-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene-9-carbonyl)quinazolin-4-one
PubChem CID135104063
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name3-methyl-7-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene-9-carbonyl)quinazolin-4-one
SMILESCC1=CC2(CCN(C(=O)c3ccc4c(=O)n(C)cnc4c3)CC2)OCC1
InChIInChI=1S/C20H23N3O3/c1-14-5-10-26-20(12-14)6-8-23(9-7-20)18(24)15-3-4-16-17(11-15)21-13-22(2)19(16)25/h3-4,11-13H,5-10H2,1-2H3
InChIKeyTYGUJKHQYTWXET-UHFFFAOYSA-N
XLogP2.27
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-methyl-7-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene-9-carbonyl)quinazolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

(5S)-9-(3-methyl-4-oxoquinazoline-7-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95724265
(1-methylindazol-3-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone
CID 135093117
1,3-dimethyl-6-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene-9-carbonyl)pyrimidine-2,4-dione
CID 163309157
(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 163306529
(4-methoxy-2-pyridinyl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone
CID 163305870
(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 135091721
7-[2-(1-hydroxycyclopropyl)pyrrolidine-1-carbonyl]-3-methylquinazolin-4-one
CID 138382545
7-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3-methylquinazolin-4-one
CID 167390374
(1-methylimidazo[2,1-e]pyrazol-7-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone
CID 135118088
(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone
CID 165427231
3-methyl-7-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]quinazolin-4-one
CID 96581445
[2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone
CID 164698036

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene-9-carbonyl)quinazolin-4-one?
The IUPAC name of 3-methyl-7-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene-9-carbonyl)quinazolin-4-one (CID 135104063) is 3-methyl-7-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene-9-carbonyl)quinazolin-4-one.
What is the SMILES notation for 3-methyl-7-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene-9-carbonyl)quinazolin-4-one?
The canonical SMILES for 3-methyl-7-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene-9-carbonyl)quinazolin-4-one is CC1=CC2(CCN(C(=O)c3ccc4c(=O)n(C)cnc4c3)CC2)OCC1.
What is the InChIKey of 3-methyl-7-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene-9-carbonyl)quinazolin-4-one?
The InChIKey is TYGUJKHQYTWXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14-5-10-26-20(12-14)6-8-23(9-7-20)18(24)15-3-4-16-17(11-15)21-13-22(2)19(16)25/h3-4,11-13H,5-10H2,1-2H3.
What are the key properties of 3-methyl-7-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene-9-carbonyl)quinazolin-4-one?
3-methyl-7-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene-9-carbonyl)quinazolin-4-one has a molecular weight of 353.42 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene-9-carbonyl)quinazolin-4-one is sourced from PubChem (CID 135104063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).