3-nitro-3H-quinolin-2-one

C9H6N2O3 — CID 45025452

IUPAC3-nitro-3H-quinolin-2-one
SMILESO=C1N=c2ccccc2=CC1[N+](=O)[O-]
InChIInChI=1S/C9H6N2O3/c12-9-8(11(13)14)5-6-3-1-2-4-7(6)10-9/h1-5,8H
InChIKeyLUASIDGCYRWNCM-UHFFFAOYSA-N
MW190.16 g/mol
LogP-0.73
Rot. Bonds1

About 3-nitro-3H-quinolin-2-one

3-nitro-3H-quinolin-2-one (PubChem CID 45025452) has the molecular formula C9H6N2O3 and a molecular weight of 190.16 g/mol. Its IUPAC name is 3-nitro-3H-quinolin-2-one.

Molecular Properties

Compound Name3-nitro-3H-quinolin-2-one
PubChem CID45025452
Molecular FormulaC9H6N2O3
Molecular Weight190.16 g/mol
Exact Mass190.04
IUPAC Name3-nitro-3H-quinolin-2-one
SMILESO=C1N=c2ccccc2=CC1[N+](=O)[O-]
InChIInChI=1S/C9H6N2O3/c12-9-8(11(13)14)5-6-3-1-2-4-7(6)10-9/h1-5,8H
InChIKeyLUASIDGCYRWNCM-UHFFFAOYSA-N
XLogP-0.73
TPSA72.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 5-0.73
H-Bond Donors ≤ 50
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

7-fluoro-6-nitro-3-prop-2-enyl-3H-quinoxalin-2-one
CID 23463837
6-nitro-4-(trifluoromethyl)-6H-quinolin-2-one
CID 73240359
2(1H)-Quinolinone, 6-nitro-
CID 73994936
4-chloro-3-nitro-3H-quinolin-2-one
CID 90811077
(2-nitro-2H-quinolin-3-ylidene)methanone
CID 140973032
7-nitro-4aH-quinoxalin-2-one
CID 72743401
5-nitro-4aH-quinoxalin-2-one
CID 72810086
6-nitro-3H-quinoxalin-2-one
CID 73994931
8-nitroquinoxalin-2(3H)-one
CID 73994933
5-nitroquinoxalin-2(3H)-one
CID 73994934
4-chloro-6-nitro-6H-quinolin-2-one
CID 76845380
6-nitro-6H-quinolin-2-one
CID 76845642

Frequently Asked Questions

What is the IUPAC name of 3-nitro-3H-quinolin-2-one?
The IUPAC name of 3-nitro-3H-quinolin-2-one (CID 45025452) is 3-nitro-3H-quinolin-2-one.
What is the SMILES notation for 3-nitro-3H-quinolin-2-one?
The canonical SMILES for 3-nitro-3H-quinolin-2-one is O=C1N=c2ccccc2=CC1[N+](=O)[O-].
What is the InChIKey of 3-nitro-3H-quinolin-2-one?
The InChIKey is LUASIDGCYRWNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O3/c12-9-8(11(13)14)5-6-3-1-2-4-7(6)10-9/h1-5,8H.
What are the key properties of 3-nitro-3H-quinolin-2-one?
3-nitro-3H-quinolin-2-one has a molecular weight of 190.16 g/mol, XLogP of -0.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-3H-quinolin-2-one is sourced from PubChem (CID 45025452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).