7-chloro-8-nitro-4-(trifluoromethyl)-1H-quinolin-2-one

C10H4ClF3N2O3 — CID 2794445

IUPAC7-chloro-8-nitro-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1cc(C(F)(F)F)c2ccc(Cl)c([N+](=O)[O-])c2[nH]1
InChIInChI=1S/C10H4ClF3N2O3/c11-6-2-1-4-5(10(12,13)14)3-7(17)15-8(4)9(6)16(18)19/h1-3H,(H,15,17)
InChIKeyZQYYRRLCLBLPEF-UHFFFAOYSA-N
MW292.60 g/mol
LogP3.11
Rot. Bonds1

About 7-chloro-8-nitro-4-(trifluoromethyl)-1H-quinolin-2-one

7-chloro-8-nitro-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 2794445) has the molecular formula C10H4ClF3N2O3 and a molecular weight of 292.60 g/mol. Its IUPAC name is 7-chloro-8-nitro-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-8-nitro-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID2794445
Molecular FormulaC10H4ClF3N2O3
Molecular Weight292.60 g/mol
Exact Mass291.99
IUPAC Name7-chloro-8-nitro-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1cc(C(F)(F)F)c2ccc(Cl)c([N+](=O)[O-])c2[nH]1
InChIInChI=1S/C10H4ClF3N2O3/c11-6-2-1-4-5(10(12,13)14)3-7(17)15-8(4)9(6)16(18)19/h1-3H,(H,15,17)
InChIKeyZQYYRRLCLBLPEF-UHFFFAOYSA-N
XLogP3.11
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.60
LogP ≤ 53.11
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

1,2-dichloro-3-nitro-4-(trifluoromethyl)benzene
CID 15103062
1,4-dichloro-2-nitro-3-(trifluoromethyl)benzene
CID 142650771
6-bromo-8-methyl-4-(trifluoromethyl)-1H-quinolin-2-one
CID 131847437
4-(trifluoromethyl)-7H-thieno[2,3-b]pyridin-6-one
CID 168966863
8-bromo-5-(trifluoromethyl)-1H-quinolin-2-one
CID 169499706
8-nitro-4-[4-(trifluoromethyl)phenyl]-1H-quinolin-2-one
CID 102503290
1-chloro-4-(difluoromethoxy)-2-nitro-3-(trifluoromethyl)benzene
CID 171007606
4-nitro-3-(trifluoromethyl)naphthalen-1-ol
CID 162194943
3,6-dichloro-2-nitroaniline
CID 3576459
1-chloro-5-fluoro-4-nitro-2-(trifluoromethyl)benzene
CID 58919797
3-chloro-2-nitro-5-(trifluoromethyl)benzenethiol
CID 171007443
(3,6-dichloro-2-nitrophenyl)methanol
CID 131014118

Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-nitro-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 7-chloro-8-nitro-4-(trifluoromethyl)-1H-quinolin-2-one (CID 2794445) is 7-chloro-8-nitro-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-8-nitro-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-8-nitro-4-(trifluoromethyl)-1H-quinolin-2-one is O=c1cc(C(F)(F)F)c2ccc(Cl)c([N+](=O)[O-])c2[nH]1.
What is the InChIKey of 7-chloro-8-nitro-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is ZQYYRRLCLBLPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4ClF3N2O3/c11-6-2-1-4-5(10(12,13)14)3-7(17)15-8(4)9(6)16(18)19/h1-3H,(H,15,17).
What are the key properties of 7-chloro-8-nitro-4-(trifluoromethyl)-1H-quinolin-2-one?
7-chloro-8-nitro-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 292.60 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-nitro-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 2794445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).