4-(azidomethyl)-1-quinazolin-4-ylpyrrolidin-2-one

C13H12N6O — CID 168658636

IUPAC4-(azidomethyl)-1-quinazolin-4-ylpyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(c2ncnc3ccccc23)C1
InChIInChI=1S/C13H12N6O/c14-18-17-6-9-5-12(20)19(7-9)13-10-3-1-2-4-11(10)15-8-16-13/h1-4,8-9H,5-7H2
InChIKeyBELLMRFYEGRPJT-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.29
Rot. Bonds3

About 4-(azidomethyl)-1-quinazolin-4-ylpyrrolidin-2-one

4-(azidomethyl)-1-quinazolin-4-ylpyrrolidin-2-one (PubChem CID 168658636) has the molecular formula C13H12N6O and a molecular weight of 268.28 g/mol. Its IUPAC name is 4-(azidomethyl)-1-quinazolin-4-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(azidomethyl)-1-quinazolin-4-ylpyrrolidin-2-one
PubChem CID168658636
Molecular FormulaC13H12N6O
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC Name4-(azidomethyl)-1-quinazolin-4-ylpyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(c2ncnc3ccccc23)C1
InChIInChI=1S/C13H12N6O/c14-18-17-6-9-5-12(20)19(7-9)13-10-3-1-2-4-11(10)15-8-16-13/h1-4,8-9H,5-7H2
InChIKeyBELLMRFYEGRPJT-UHFFFAOYSA-N
XLogP2.29
TPSA94.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-(azidomethyl)-1-(4-bromoisoquinolin-1-yl)pyrrolidin-2-one
CID 168657621
1-(3-amino-2-pyridinyl)-4-(azidomethyl)pyrrolidin-2-one
CID 168658459
4-(azidomethyl)-1-(2-methylquinolin-4-yl)pyrrolidin-2-one
CID 168657014
2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 168658114
4-(azidomethyl)-1-(2-cyclopropylphenyl)pyrrolidin-2-one
CID 168658146
4-(azidomethyl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 168656777
2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1H-quinolin-4-one
CID 168658580
4-(azidomethyl)-1-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidin-2-one
CID 168657546
4-(azidomethyl)-1-(1,10-phenanthrolin-5-yl)pyrrolidin-2-one
CID 168658182
4-(azidomethyl)-1-(2-pyrrolidin-1-ylphenyl)pyrrolidin-2-one
CID 168658001
1-(3-amino-6-methyl-2-pyridinyl)-4-(azidomethyl)pyrrolidin-2-one
CID 168656814
4-(azidomethyl)-1-[2-(phenoxymethyl)phenyl]pyrrolidin-2-one
CID 168658165

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-1-quinazolin-4-ylpyrrolidin-2-one?
The IUPAC name of 4-(azidomethyl)-1-quinazolin-4-ylpyrrolidin-2-one (CID 168658636) is 4-(azidomethyl)-1-quinazolin-4-ylpyrrolidin-2-one.
What is the SMILES notation for 4-(azidomethyl)-1-quinazolin-4-ylpyrrolidin-2-one?
The canonical SMILES for 4-(azidomethyl)-1-quinazolin-4-ylpyrrolidin-2-one is [N-]=[N+]=NCC1CC(=O)N(c2ncnc3ccccc23)C1.
What is the InChIKey of 4-(azidomethyl)-1-quinazolin-4-ylpyrrolidin-2-one?
The InChIKey is BELLMRFYEGRPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O/c14-18-17-6-9-5-12(20)19(7-9)13-10-3-1-2-4-11(10)15-8-16-13/h1-4,8-9H,5-7H2.
What are the key properties of 4-(azidomethyl)-1-quinazolin-4-ylpyrrolidin-2-one?
4-(azidomethyl)-1-quinazolin-4-ylpyrrolidin-2-one has a molecular weight of 268.28 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-1-quinazolin-4-ylpyrrolidin-2-one is sourced from PubChem (CID 168658636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).