5-(2-azidoethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-1,3-oxazol-2-one

C14H13N5O3 — CID 118940534

IUPAC5-(2-azidoethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-1,3-oxazol-2-one
SMILES[N-]=[N+]=NCCc1cn(-c2ccc3c(c2)NC(=O)CC3)c(=O)o1
InChIInChI=1S/C14H13N5O3/c15-18-16-6-5-11-8-19(14(21)22-11)10-3-1-9-2-4-13(20)17-12(9)7-10/h1,3,7-8H,2,4-6H2,(H,17,20)
InChIKeyGHDXRMBEEKZVDI-UHFFFAOYSA-N
MW299.29 g/mol
LogP2.17
Rot. Bonds4

About 5-(2-azidoethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-1,3-oxazol-2-one

5-(2-azidoethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-1,3-oxazol-2-one (PubChem CID 118940534) has the molecular formula C14H13N5O3 and a molecular weight of 299.29 g/mol. Its IUPAC name is 5-(2-azidoethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-1,3-oxazol-2-one.

Molecular Properties

Compound Name5-(2-azidoethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-1,3-oxazol-2-one
PubChem CID118940534
Molecular FormulaC14H13N5O3
Molecular Weight299.29 g/mol
Exact Mass299.10
IUPAC Name5-(2-azidoethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-1,3-oxazol-2-one
SMILES[N-]=[N+]=NCCc1cn(-c2ccc3c(c2)NC(=O)CC3)c(=O)o1
InChIInChI=1S/C14H13N5O3/c15-18-16-6-5-11-8-19(14(21)22-11)10-3-1-9-2-4-13(20)17-12(9)7-10/h1,3,7-8H,2,4-6H2,(H,17,20)
InChIKeyGHDXRMBEEKZVDI-UHFFFAOYSA-N
XLogP2.17
TPSA113.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

6-[5-(2-azidoethyl)-2-oxo-1,3-oxazol-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
CID 156861716
5-(2-hydroxyethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-1,3-oxazolidin-2-one
CID 118940539
(5R)-1,5-dimethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)imidazolidine-2,4-dione
CID 138998489
7-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 168509383
7-(isocyanatomethyl)-3,4-dihydro-1H-quinolin-2-one
CID 117290752
[5-oxo-1-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)pyrrolidin-3-yl]methanesulfonamide
CID 168683059
[5-oxo-1-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677572
7-(4-hydroxybutyl)-3,4-dihydro-1H-quinolin-2-one
CID 129209031
7-[2-(1-aminocyclopropyl)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 105488328
2-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetic acid
CID 59398387
5-oxo-1-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)pyrrolidine-3-carboxamide
CID 168698309
4-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)butanoic acid
CID 117337941

Frequently Asked Questions

What is the IUPAC name of 5-(2-azidoethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-1,3-oxazol-2-one?
The IUPAC name of 5-(2-azidoethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-1,3-oxazol-2-one (CID 118940534) is 5-(2-azidoethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-1,3-oxazol-2-one.
What is the SMILES notation for 5-(2-azidoethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-1,3-oxazol-2-one?
The canonical SMILES for 5-(2-azidoethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-1,3-oxazol-2-one is [N-]=[N+]=NCCc1cn(-c2ccc3c(c2)NC(=O)CC3)c(=O)o1.
What is the InChIKey of 5-(2-azidoethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-1,3-oxazol-2-one?
The InChIKey is GHDXRMBEEKZVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3/c15-18-16-6-5-11-8-19(14(21)22-11)10-3-1-9-2-4-13(20)17-12(9)7-10/h1,3,7-8H,2,4-6H2,(H,17,20).
What are the key properties of 5-(2-azidoethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-1,3-oxazol-2-one?
5-(2-azidoethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-1,3-oxazol-2-one has a molecular weight of 299.29 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-azidoethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-1,3-oxazol-2-one is sourced from PubChem (CID 118940534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).