1-ethyl-4-(ethylamino)-3-nitroquinolin-2-one

C13H15N3O3 — CID 3710097

IUPAC1-ethyl-4-(ethylamino)-3-nitroquinolin-2-one
SMILESCCNc1c([N+](=O)[O-])c(=O)n(CC)c2ccccc12
InChIInChI=1S/C13H15N3O3/c1-3-14-11-9-7-5-6-8-10(9)15(4-2)13(17)12(11)16(18)19/h5-8,14H,3-4H2,1-2H3
InChIKeySKOMFODJNGJSBC-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.36
Rot. Bonds4

About 1-ethyl-4-(ethylamino)-3-nitroquinolin-2-one

1-ethyl-4-(ethylamino)-3-nitroquinolin-2-one (PubChem CID 3710097) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 1-ethyl-4-(ethylamino)-3-nitroquinolin-2-one.

Molecular Properties

Compound Name1-ethyl-4-(ethylamino)-3-nitroquinolin-2-one
PubChem CID3710097
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name1-ethyl-4-(ethylamino)-3-nitroquinolin-2-one
SMILESCCNc1c([N+](=O)[O-])c(=O)n(CC)c2ccccc12
InChIInChI=1S/C13H15N3O3/c1-3-14-11-9-7-5-6-8-10(9)15(4-2)13(17)12(11)16(18)19/h5-8,14H,3-4H2,1-2H3
InChIKeySKOMFODJNGJSBC-UHFFFAOYSA-N
XLogP2.36
TPSA77.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.36
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

4-Chloro-1-methyl-3-nitro-1,2-dihydroquinolin-2-one
CID 701939
3-Nitro-1-phenyl-4-pyrrolidin-1-ylquinolin-2-one
CID 2879094
1-ethyl-6-nitroquinolin-2(1H)-one
CID 767348
4-(diethylamino)-1-methyl-3-nitroquinolin-2(1H)-one
CID 2863862
4-(azepan-1-yl)-3-nitro-1-phenylquinolin-2(1H)-one
CID 2878744
2(1H)-Pyridinone, 5-ethyl-6-methyl-3-(((2-nitrophenyl)methyl)amino)-
CID 454351
4-azido-1-methyl-3-nitro-1H-quinolin-2-one
CID 387473
4-chloro-1-ethyl-3-nitroquinolin-2(1H)-one
CID 800048
N-Ethyl-N-(2-hydroxy-quinolin-4-ylmethyl)-isobutyramide
CID 945517
N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propylpropanamide
CID 2017572
2-(azepan-1-yl)-N-(4-methyl-3-nitrophenyl)acetamide
CID 2461963
1-methyl-3-nitro-4-(((tetrahydrofuran-2-yl)methyl)amino)quinolin-2(1H)-one
CID 2879555

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(ethylamino)-3-nitroquinolin-2-one?
The IUPAC name of 1-ethyl-4-(ethylamino)-3-nitroquinolin-2-one (CID 3710097) is 1-ethyl-4-(ethylamino)-3-nitroquinolin-2-one.
What is the SMILES notation for 1-ethyl-4-(ethylamino)-3-nitroquinolin-2-one?
The canonical SMILES for 1-ethyl-4-(ethylamino)-3-nitroquinolin-2-one is CCNc1c([N+](=O)[O-])c(=O)n(CC)c2ccccc12.
What is the InChIKey of 1-ethyl-4-(ethylamino)-3-nitroquinolin-2-one?
The InChIKey is SKOMFODJNGJSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-3-14-11-9-7-5-6-8-10(9)15(4-2)13(17)12(11)16(18)19/h5-8,14H,3-4H2,1-2H3.
What are the key properties of 1-ethyl-4-(ethylamino)-3-nitroquinolin-2-one?
1-ethyl-4-(ethylamino)-3-nitroquinolin-2-one has a molecular weight of 261.28 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(ethylamino)-3-nitroquinolin-2-one is sourced from PubChem (CID 3710097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).