4-(ethylamino)-1-methyl-6-nitroquinolin-2-one

C12H13N3O3 — CID 135385757

IUPAC4-(ethylamino)-1-methyl-6-nitroquinolin-2-one
SMILESCCNc1cc(=O)n(C)c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C12H13N3O3/c1-3-13-10-7-12(16)14(2)11-5-4-8(15(17)18)6-9(10)11/h4-7,13H,3H2,1-2H3
InChIKeyKADXVBLFIPJRHO-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.88
Rot. Bonds3

About 4-(ethylamino)-1-methyl-6-nitroquinolin-2-one

4-(ethylamino)-1-methyl-6-nitroquinolin-2-one (PubChem CID 135385757) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 4-(ethylamino)-1-methyl-6-nitroquinolin-2-one.

Molecular Properties

Compound Name4-(ethylamino)-1-methyl-6-nitroquinolin-2-one
PubChem CID135385757
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name4-(ethylamino)-1-methyl-6-nitroquinolin-2-one
SMILESCCNc1cc(=O)n(C)c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C12H13N3O3/c1-3-13-10-7-12(16)14(2)11-5-4-8(15(17)18)6-9(10)11/h4-7,13H,3H2,1-2H3
InChIKeyKADXVBLFIPJRHO-UHFFFAOYSA-N
XLogP1.88
TPSA77.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.88
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

1-methyl-4-[(1-methylcyclopropyl)amino]-6-nitroquinolin-2-one
CID 156564878
N-ethyl-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]propanamide
CID 142478299
1-methyl-4-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethylamino]-6-nitroquinolin-2-one
CID 156564927
1,3-dimethyl-6-nitroquinazoline-2,4-dione
CID 12666513
(2R)-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 135385524
2-chloro-N-ethyl-5-nitroaniline
CID 43718971
(2R)-N-(4-methoxycyclohexyl)-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]propanamide
CID 156564875
9-methyl-6-nitrocarbazole-3-carbaldehyde
CID 23559399
N-[2-(ethylamino)-5-nitrophenyl]propanamide
CID 71408638
2-(ethylamino)-4-nitrobenzenesulfonic acid
CID 14833051
N-ethyl-4-nitro-2-pyrrolidin-1-ylsulfonylaniline
CID 18074536
1-[[2-(ethylamino)-5-nitrophenyl]methyl]pyrrolidine-2,5-dione
CID 62207983

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-1-methyl-6-nitroquinolin-2-one?
The IUPAC name of 4-(ethylamino)-1-methyl-6-nitroquinolin-2-one (CID 135385757) is 4-(ethylamino)-1-methyl-6-nitroquinolin-2-one.
What is the SMILES notation for 4-(ethylamino)-1-methyl-6-nitroquinolin-2-one?
The canonical SMILES for 4-(ethylamino)-1-methyl-6-nitroquinolin-2-one is CCNc1cc(=O)n(C)c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of 4-(ethylamino)-1-methyl-6-nitroquinolin-2-one?
The InChIKey is KADXVBLFIPJRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-3-13-10-7-12(16)14(2)11-5-4-8(15(17)18)6-9(10)11/h4-7,13H,3H2,1-2H3.
What are the key properties of 4-(ethylamino)-1-methyl-6-nitroquinolin-2-one?
4-(ethylamino)-1-methyl-6-nitroquinolin-2-one has a molecular weight of 247.25 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-1-methyl-6-nitroquinolin-2-one is sourced from PubChem (CID 135385757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).