2-(azidomethyl)-2,6-dihydro-1H-furo[3,2-f]quinolin-7-one

C12H10N4O2 — CID 23369706

IUPAC2-(azidomethyl)-2,6-dihydro-1H-furo[3,2-f]quinolin-7-one
SMILES[N-]=[N+]=NCC1Cc2c(ccc3[nH]c(=O)ccc23)O1
InChIInChI=1S/C12H10N4O2/c13-16-14-6-7-5-9-8-1-4-12(17)15-10(8)2-3-11(9)18-7/h1-4,7H,5-6H2,(H,15,17)
InChIKeyKBJAAFYCKTWNKY-UHFFFAOYSA-N
MW242.24 g/mol
LogP2.14
Rot. Bonds2

About 2-(azidomethyl)-2,6-dihydro-1H-furo[3,2-f]quinolin-7-one

2-(azidomethyl)-2,6-dihydro-1H-furo[3,2-f]quinolin-7-one (PubChem CID 23369706) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-(azidomethyl)-2,6-dihydro-1H-furo[3,2-f]quinolin-7-one.

Molecular Properties

Compound Name2-(azidomethyl)-2,6-dihydro-1H-furo[3,2-f]quinolin-7-one
PubChem CID23369706
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name2-(azidomethyl)-2,6-dihydro-1H-furo[3,2-f]quinolin-7-one
SMILES[N-]=[N+]=NCC1Cc2c(ccc3[nH]c(=O)ccc23)O1
InChIInChI=1S/C12H10N4O2/c13-16-14-6-7-5-9-8-1-4-12(17)15-10(8)2-3-11(9)18-7/h1-4,7H,5-6H2,(H,15,17)
InChIKeyKBJAAFYCKTWNKY-UHFFFAOYSA-N
XLogP2.14
TPSA90.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 52.14
H-Bond Donors ≤ 51
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

2-(azidomethyl)-3,6-dihydro-2H-furo[2,3-f]quinolin-7-one
CID 23369847
(8S)-8-(azidomethyl)-7,8-dihydro-3H-[1,4]dioxino[2,3-g][1,3]benzoxazol-2-one
CID 86587693
(2S)-2-(azidomethyl)-2,3-dihydro-1-benzofuran-5-carbonitrile
CID 94046378
2-(azidomethyl)-5-chloro-2,3-dihydro-1-benzofuran
CID 66362547
(8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-methyl-N-propylcarbamate
CID 139661718
2-(azidomethyl)-2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran
CID 90748480
2-(azidomethyl)-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione
CID 129075244
6-(azidomethyl)oxan-2-one
CID 10583002
3-(trifluoromethyl)-1,2,3,7-tetrahydropyrido[3,2-f][1,4]benzoxazin-8-one
CID 141080272
(8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-(3,3-dimethylpiperazin-1-yl)carbamate
CID 139661741
(8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-piperidin-1-ylcarbamate
CID 139661738
(2R,5R)-2-ethyl-5-methyl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one;hydrochloride
CID 169261742

Frequently Asked Questions

What is the IUPAC name of 2-(azidomethyl)-2,6-dihydro-1H-furo[3,2-f]quinolin-7-one?
The IUPAC name of 2-(azidomethyl)-2,6-dihydro-1H-furo[3,2-f]quinolin-7-one (CID 23369706) is 2-(azidomethyl)-2,6-dihydro-1H-furo[3,2-f]quinolin-7-one.
What is the SMILES notation for 2-(azidomethyl)-2,6-dihydro-1H-furo[3,2-f]quinolin-7-one?
The canonical SMILES for 2-(azidomethyl)-2,6-dihydro-1H-furo[3,2-f]quinolin-7-one is [N-]=[N+]=NCC1Cc2c(ccc3[nH]c(=O)ccc23)O1.
What is the InChIKey of 2-(azidomethyl)-2,6-dihydro-1H-furo[3,2-f]quinolin-7-one?
The InChIKey is KBJAAFYCKTWNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c13-16-14-6-7-5-9-8-1-4-12(17)15-10(8)2-3-11(9)18-7/h1-4,7H,5-6H2,(H,15,17).
What are the key properties of 2-(azidomethyl)-2,6-dihydro-1H-furo[3,2-f]quinolin-7-one?
2-(azidomethyl)-2,6-dihydro-1H-furo[3,2-f]quinolin-7-one has a molecular weight of 242.24 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-2,6-dihydro-1H-furo[3,2-f]quinolin-7-one is sourced from PubChem (CID 23369706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).