8-azido-6-methyl-3,4-dihydro-1H-quinolin-2-one

C10H10N4O — CID 169326609

IUPAC8-azido-6-methyl-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc2c(c(N=[N+]=[N-])c1)NC(=O)CC2
InChIInChI=1S/C10H10N4O/c1-6-4-7-2-3-9(15)12-10(7)8(5-6)13-14-11/h4-5H,2-3H2,1H3,(H,12,15)
InChIKeyYEFJGWYQLGKNLX-UHFFFAOYSA-N
MW202.22 g/mol
LogP2.82
Rot. Bonds1

About 8-azido-6-methyl-3,4-dihydro-1H-quinolin-2-one

8-azido-6-methyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 169326609) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 8-azido-6-methyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name8-azido-6-methyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID169326609
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name8-azido-6-methyl-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc2c(c(N=[N+]=[N-])c1)NC(=O)CC2
InChIInChI=1S/C10H10N4O/c1-6-4-7-2-3-9(15)12-10(7)8(5-6)13-14-11/h4-5H,2-3H2,1H3,(H,12,15)
InChIKeyYEFJGWYQLGKNLX-UHFFFAOYSA-N
XLogP2.82
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 8-azido-6-methyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 8-azido-6-methyl-3,4-dihydro-1H-quinolin-2-one (CID 169326609) is 8-azido-6-methyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 8-azido-6-methyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 8-azido-6-methyl-3,4-dihydro-1H-quinolin-2-one is Cc1cc2c(c(N=[N+]=[N-])c1)NC(=O)CC2.
What is the InChIKey of 8-azido-6-methyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is YEFJGWYQLGKNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c1-6-4-7-2-3-9(15)12-10(7)8(5-6)13-14-11/h4-5H,2-3H2,1H3,(H,12,15).
What are the key properties of 8-azido-6-methyl-3,4-dihydro-1H-quinolin-2-one?
8-azido-6-methyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 202.22 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azido-6-methyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 169326609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).