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

C12H10N4O2 — CID 23369847

IUPAC2-(azidomethyl)-3,6-dihydro-2H-furo[2,3-f]quinolin-7-one
SMILES[N-]=[N+]=NCC1Cc2ccc3[nH]c(=O)ccc3c2O1
InChIInChI=1S/C12H10N4O2/c13-16-14-6-8-5-7-1-3-10-9(12(7)18-8)2-4-11(17)15-10/h1-4,8H,5-6H2,(H,15,17)
InChIKeyCZLVBZFSLCXSAC-UHFFFAOYSA-N
MW242.24 g/mol
LogP2.14
Rot. Bonds2

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

2-(azidomethyl)-3,6-dihydro-2H-furo[2,3-f]quinolin-7-one (PubChem CID 23369847) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-(azidomethyl)-3,6-dihydro-2H-furo[2,3-f]quinolin-7-one.

Molecular Properties

Compound Name2-(azidomethyl)-3,6-dihydro-2H-furo[2,3-f]quinolin-7-one
PubChem CID23369847
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name2-(azidomethyl)-3,6-dihydro-2H-furo[2,3-f]quinolin-7-one
SMILES[N-]=[N+]=NCC1Cc2ccc3[nH]c(=O)ccc3c2O1
InChIInChI=1S/C12H10N4O2/c13-16-14-6-8-5-7-1-3-10-9(12(7)18-8)2-4-11(17)15-10/h1-4,8H,5-6H2,(H,15,17)
InChIKeyCZLVBZFSLCXSAC-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)-2,6-dihydro-1H-furo[3,2-f]quinolin-7-one
CID 23369706
(8S)-8-(azidomethyl)-7,8-dihydro-3H-[1,4]dioxino[2,3-g][1,3]benzoxazol-2-one
CID 86587693
[2-(azidomethyl)-2,3-dihydro-1-benzofuran-7-yl]boronic acid
CID 86236191
2-(azidomethyl)-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran
CID 86599211
2-(azidomethyl)-7-methoxy-2,3-dihydro-1-benzofuran
CID 86599172
2-(azidomethyl)-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran
CID 86599204
2-(fluoromethyl)-5-methyl-3,6-dihydro-2H-furo[2,3-f]quinolin-7-one
CID 23369788
2-(azidomethyl)-7-(2,4-dichlorophenyl)-2,3-dihydro-1-benzofuran
CID 86599214
(2S)-2-(azidomethyl)-2,3-dihydro-1-benzofuran-5-carbonitrile
CID 94046378
2-(azidomethyl)-5-chloro-2,3-dihydro-1-benzofuran
CID 66362547
2-(azidomethyl)-7-(3-methoxyphenyl)-2,3-dihydro-1-benzofuran
CID 86599209
2-(azidomethyl)-5-chloro-7-thiophen-3-yl-2,3-dihydro-1-benzofuran
CID 86599109

Frequently Asked Questions

What is the IUPAC name of 2-(azidomethyl)-3,6-dihydro-2H-furo[2,3-f]quinolin-7-one?
The IUPAC name of 2-(azidomethyl)-3,6-dihydro-2H-furo[2,3-f]quinolin-7-one (CID 23369847) is 2-(azidomethyl)-3,6-dihydro-2H-furo[2,3-f]quinolin-7-one.
What is the SMILES notation for 2-(azidomethyl)-3,6-dihydro-2H-furo[2,3-f]quinolin-7-one?
The canonical SMILES for 2-(azidomethyl)-3,6-dihydro-2H-furo[2,3-f]quinolin-7-one is [N-]=[N+]=NCC1Cc2ccc3[nH]c(=O)ccc3c2O1.
What is the InChIKey of 2-(azidomethyl)-3,6-dihydro-2H-furo[2,3-f]quinolin-7-one?
The InChIKey is CZLVBZFSLCXSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c13-16-14-6-8-5-7-1-3-10-9(12(7)18-8)2-4-11(17)15-10/h1-4,8H,5-6H2,(H,15,17).
What are the key properties of 2-(azidomethyl)-3,6-dihydro-2H-furo[2,3-f]quinolin-7-one?
2-(azidomethyl)-3,6-dihydro-2H-furo[2,3-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)-3,6-dihydro-2H-furo[2,3-f]quinolin-7-one is sourced from PubChem (CID 23369847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).