6,7-diethoxy-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one

C19H20N2O5 — CID 17060731

IUPAC6,7-diethoxy-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCCOc1cc2c(cc1OCC)C(c1cccc([N+](=O)[O-])c1)CC(=O)N2
InChIInChI=1S/C19H20N2O5/c1-3-25-17-9-15-14(12-6-5-7-13(8-12)21(23)24)10-19(22)20-16(15)11-18(17)26-4-2/h5-9,11,14H,3-4,10H2,1-2H3,(H,20,22)
InChIKeyQYVRWMVTOHRERQ-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.87
Rot. Bonds6

About 6,7-diethoxy-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one

6,7-diethoxy-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 17060731) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is 6,7-diethoxy-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6,7-diethoxy-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID17060731
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name6,7-diethoxy-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCCOc1cc2c(cc1OCC)C(c1cccc([N+](=O)[O-])c1)CC(=O)N2
InChIInChI=1S/C19H20N2O5/c1-3-25-17-9-15-14(12-6-5-7-13(8-12)21(23)24)10-19(22)20-16(15)11-18(17)26-4-2/h5-9,11,14H,3-4,10H2,1-2H3,(H,20,22)
InChIKeyQYVRWMVTOHRERQ-UHFFFAOYSA-N
XLogP3.87
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

6,7-diethoxy-4-(4-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one
CID 17312443
6,7-dimethoxy-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one
CID 2939263
6,7-dimethyl-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one
CID 2916903
4-(3-nitrophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
CID 3527771
(4S)-6,7-diethoxy-4-(4-ethylphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 27518377
6,7-diethoxy-4-(2-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 3162399
1-(3-nitrophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 2857782
(4R)-4-(2-butoxyphenyl)-6,7-diethoxy-3,4-dihydro-1H-quinolin-2-one
CID 27521012
6,7-dimethoxy-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 6624972
methyl (4S)-6-methyl-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 772402
2-ethylsulfanylethyl 6-methyl-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 17060745
[(2R)-butan-2-yl] (4R)-6-methyl-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 27516774

Frequently Asked Questions

What is the IUPAC name of 6,7-diethoxy-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6,7-diethoxy-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one (CID 17060731) is 6,7-diethoxy-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6,7-diethoxy-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6,7-diethoxy-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one is CCOc1cc2c(cc1OCC)C(c1cccc([N+](=O)[O-])c1)CC(=O)N2.
What is the InChIKey of 6,7-diethoxy-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is QYVRWMVTOHRERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-3-25-17-9-15-14(12-6-5-7-13(8-12)21(23)24)10-19(22)20-16(15)11-18(17)26-4-2/h5-9,11,14H,3-4,10H2,1-2H3,(H,20,22).
What are the key properties of 6,7-diethoxy-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one?
6,7-diethoxy-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 356.38 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethoxy-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 17060731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).