6,8-dimethyl-4-(4-nitrophenyl)-1H-quinolin-2-one

C17H14N2O3 — CID 723161

IUPAC6,8-dimethyl-4-(4-nitrophenyl)-1H-quinolin-2-one
SMILESCc1cc(C)c2[nH]c(=O)cc(-c3ccc([N+](=O)[O-])cc3)c2c1
InChIInChI=1S/C17H14N2O3/c1-10-7-11(2)17-15(8-10)14(9-16(20)18-17)12-3-5-13(6-4-12)19(21)22/h3-9H,1-2H3,(H,18,20)
InChIKeyHQXKRVJSXVJHII-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.72
Rot. Bonds2

About 6,8-dimethyl-4-(4-nitrophenyl)-1H-quinolin-2-one

6,8-dimethyl-4-(4-nitrophenyl)-1H-quinolin-2-one (PubChem CID 723161) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 6,8-dimethyl-4-(4-nitrophenyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6,8-dimethyl-4-(4-nitrophenyl)-1H-quinolin-2-one
PubChem CID723161
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name6,8-dimethyl-4-(4-nitrophenyl)-1H-quinolin-2-one
SMILESCc1cc(C)c2[nH]c(=O)cc(-c3ccc([N+](=O)[O-])cc3)c2c1
InChIInChI=1S/C17H14N2O3/c1-10-7-11(2)17-15(8-10)14(9-16(20)18-17)12-3-5-13(6-4-12)19(21)22/h3-9H,1-2H3,(H,18,20)
InChIKeyHQXKRVJSXVJHII-UHFFFAOYSA-N
XLogP3.72
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.72
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

6-Methylquinolin-2(1H)-one
CID 12237458
4',4''-Methylenebis(acetanilide)
CID 94990
3-Deoxyviridicatin
CID 375912
7-Amino-4,8-dimethyl-2(1H)-quinolinone
CID 333984
N-(2,6-Dimethylphenyl)-4-nitrobenzamide
CID 477704
Acetamide, N-(2-methyl-4-nitrophenyl)-
CID 75936
N-(2,4-Dimethylphenyl)-2-nitrobenzamide
CID 577479
4,6-Dimethyl-2-hydroxyquinoline
CID 269608
N-(2-Ethylphenyl)-4-nitrobenzamide
CID 791934
N,N'-Diacetyl-3,3'-dimethylbenzidine
CID 626583
7-Methyl-4-(4-nitrophenyl)hydroquinolin-2-one
CID 721684
N-(2,4-dimethylphenyl)-2-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 942741

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-4-(4-nitrophenyl)-1H-quinolin-2-one?
The IUPAC name of 6,8-dimethyl-4-(4-nitrophenyl)-1H-quinolin-2-one (CID 723161) is 6,8-dimethyl-4-(4-nitrophenyl)-1H-quinolin-2-one.
What is the SMILES notation for 6,8-dimethyl-4-(4-nitrophenyl)-1H-quinolin-2-one?
The canonical SMILES for 6,8-dimethyl-4-(4-nitrophenyl)-1H-quinolin-2-one is Cc1cc(C)c2[nH]c(=O)cc(-c3ccc([N+](=O)[O-])cc3)c2c1.
What is the InChIKey of 6,8-dimethyl-4-(4-nitrophenyl)-1H-quinolin-2-one?
The InChIKey is HQXKRVJSXVJHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-10-7-11(2)17-15(8-10)14(9-16(20)18-17)12-3-5-13(6-4-12)19(21)22/h3-9H,1-2H3,(H,18,20).
What are the key properties of 6,8-dimethyl-4-(4-nitrophenyl)-1H-quinolin-2-one?
6,8-dimethyl-4-(4-nitrophenyl)-1H-quinolin-2-one has a molecular weight of 294.31 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-4-(4-nitrophenyl)-1H-quinolin-2-one is sourced from PubChem (CID 723161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).