4-(azidomethyl)-1-(2-methylquinolin-4-yl)pyrrolidin-2-one

C15H15N5O — CID 168657014

IUPAC4-(azidomethyl)-1-(2-methylquinolin-4-yl)pyrrolidin-2-one
SMILESCc1cc(N2CC(CN=[N+]=[N-])CC2=O)c2ccccc2n1
InChIInChI=1S/C15H15N5O/c1-10-6-14(12-4-2-3-5-13(12)18-10)20-9-11(7-15(20)21)8-17-19-16/h2-6,11H,7-9H2,1H3
InChIKeyXNUZHOVLISGKMZ-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.21
Rot. Bonds3

About 4-(azidomethyl)-1-(2-methylquinolin-4-yl)pyrrolidin-2-one

4-(azidomethyl)-1-(2-methylquinolin-4-yl)pyrrolidin-2-one (PubChem CID 168657014) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-(azidomethyl)-1-(2-methylquinolin-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(azidomethyl)-1-(2-methylquinolin-4-yl)pyrrolidin-2-one
PubChem CID168657014
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name4-(azidomethyl)-1-(2-methylquinolin-4-yl)pyrrolidin-2-one
SMILESCc1cc(N2CC(CN=[N+]=[N-])CC2=O)c2ccccc2n1
InChIInChI=1S/C15H15N5O/c1-10-6-14(12-4-2-3-5-13(12)18-10)20-9-11(7-15(20)21)8-17-19-16/h2-6,11H,7-9H2,1H3
InChIKeyXNUZHOVLISGKMZ-UHFFFAOYSA-N
XLogP3.21
TPSA81.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

S-[[1-(2-methylquinolin-4-yl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168667426
4-(azidomethyl)-1-(2,6-dimethyl-4-pyridinyl)pyrrolidin-2-one
CID 168656894
4-(azidomethyl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 168656777
4-(azidomethyl)-1-(1,10-phenanthrolin-5-yl)pyrrolidin-2-one
CID 168658182
4-(azidomethyl)-1-quinazolin-4-ylpyrrolidin-2-one
CID 168658636
4-(azidomethyl)-1-[2-(methylamino)phenyl]pyrrolidin-2-one
CID 168656259
4-(azidomethyl)-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 168656468
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
1-(2-chloroquinolin-4-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168664003
4-(azidomethyl)-1-(5-fluoro-2-methylphenyl)pyrrolidin-2-one
CID 168656752
4-(azidomethyl)-1-(6-methylpyridazin-3-yl)pyrrolidin-2-one
CID 168656926

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-1-(2-methylquinolin-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-(azidomethyl)-1-(2-methylquinolin-4-yl)pyrrolidin-2-one (CID 168657014) is 4-(azidomethyl)-1-(2-methylquinolin-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(azidomethyl)-1-(2-methylquinolin-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(azidomethyl)-1-(2-methylquinolin-4-yl)pyrrolidin-2-one is Cc1cc(N2CC(CN=[N+]=[N-])CC2=O)c2ccccc2n1.
What is the InChIKey of 4-(azidomethyl)-1-(2-methylquinolin-4-yl)pyrrolidin-2-one?
The InChIKey is XNUZHOVLISGKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-10-6-14(12-4-2-3-5-13(12)18-10)20-9-11(7-15(20)21)8-17-19-16/h2-6,11H,7-9H2,1H3.
What are the key properties of 4-(azidomethyl)-1-(2-methylquinolin-4-yl)pyrrolidin-2-one?
4-(azidomethyl)-1-(2-methylquinolin-4-yl)pyrrolidin-2-one has a molecular weight of 281.32 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-1-(2-methylquinolin-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 168657014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).