6-nitro-3,4-dihydro-1H-quinolin-2-one

C9H8N2O3 — CID 5111749

IUPAC6-nitro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc([N+](=O)[O-])ccc2N1
InChIInChI=1S/C9H8N2O3/c12-9-4-1-6-5-7(11(13)14)2-3-8(6)10-9/h2-3,5H,1,4H2,(H,10,12)
InChIKeyNQMSVHWAVMTBHK-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.48
Rot. Bonds1

About 6-nitro-3,4-dihydro-1H-quinolin-2-one

6-nitro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 5111749) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 6-nitro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-nitro-3,4-dihydro-1H-quinolin-2-one
PubChem CID5111749
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name6-nitro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc([N+](=O)[O-])ccc2N1
InChIInChI=1S/C9H8N2O3/c12-9-4-1-6-5-7(11(13)14)2-3-8(6)10-9/h2-3,5H,1,4H2,(H,10,12)
InChIKeyNQMSVHWAVMTBHK-UHFFFAOYSA-N
XLogP1.48
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 64796
PF-04859989
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CID 75936
6-Amino-1-methyl-1,2,3,4-tetrahydroquinolin-2-one
CID 21877756
6-amino-3,4-dihydroquinolin-2(1H)-one
CID 4912759
6,7-dimethyl-4-(3-nitrophenyl)-3,4-dihydro-2(1H)-quinolinone
CID 2916903
2-(4-fluorophenyl)-N-(2-methyl-4-nitrophenyl)acetamide
CID 2915013
N-Hydroxy-2-(2-oxo-1,2,3,4-tetrahydro-quinolin-3-yl)-acetamide
CID 11264473
6-[3-(Trifluoromethyl)phenylamino]-1,2,3,4-tetrahydroquinoline-2-one
CID 53363372
(3R)-3-amino-1-hydroxy-3,4-dihydroquinolin-2-one
CID 59627182
6-(3-ethylanilino)-3,4-dihydro-1H-quinolin-2-one
CID 86342359

Frequently Asked Questions

What is the IUPAC name of 6-nitro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-nitro-3,4-dihydro-1H-quinolin-2-one (CID 5111749) is 6-nitro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-nitro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-nitro-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc([N+](=O)[O-])ccc2N1.
What is the InChIKey of 6-nitro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is NQMSVHWAVMTBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c12-9-4-1-6-5-7(11(13)14)2-3-8(6)10-9/h2-3,5H,1,4H2,(H,10,12).
What are the key properties of 6-nitro-3,4-dihydro-1H-quinolin-2-one?
6-nitro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 192.17 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 5111749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).