6-(ethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one

C11H13N3O3 — CID 43449821

IUPAC6-(ethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
SMILESCCNc1cc2c(cc1[N+](=O)[O-])NC(=O)CC2
InChIInChI=1S/C11H13N3O3/c1-2-12-9-5-7-3-4-11(15)13-8(7)6-10(9)14(16)17/h5-6,12H,2-4H2,1H3,(H,13,15)
InChIKeyASLYJSISSHKESW-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.91
Rot. Bonds3

About 6-(ethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one

6-(ethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43449821) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 6-(ethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(ethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
PubChem CID43449821
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name6-(ethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
SMILESCCNc1cc2c(cc1[N+](=O)[O-])NC(=O)CC2
InChIInChI=1S/C11H13N3O3/c1-2-12-9-5-7-3-4-11(15)13-8(7)6-10(9)14(16)17/h5-6,12H,2-4H2,1H3,(H,13,15)
InChIKeyASLYJSISSHKESW-UHFFFAOYSA-N
XLogP1.91
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-(dimethylamino)propylamino]-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 61043811
6-(2-hydroxyethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 43382886
7-nitro-6-(2,2,2-trifluoroethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43449837
6-(cyclopropylmethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 43449824
6-(2,2-dimethoxyethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 107390082
6-(3-aminobutylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 63251145
6-(3-hydroxybutylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 64910637
7-(hexylamino)-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 115585335
7-[(2-hydroxy-2-methylpropyl)amino]-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 115618366
4-[(7-nitro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanoic acid
CID 43449751
6-[(2,2-difluoro-3-hydroxypropyl)amino]-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 106172099
7-(3-methylbutylamino)-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 115585332

Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(ethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one (CID 43449821) is 6-(ethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(ethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(ethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one is CCNc1cc2c(cc1[N+](=O)[O-])NC(=O)CC2.
What is the InChIKey of 6-(ethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ASLYJSISSHKESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-2-12-9-5-7-3-4-11(15)13-8(7)6-10(9)14(16)17/h5-6,12H,2-4H2,1H3,(H,13,15).
What are the key properties of 6-(ethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one?
6-(ethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 235.24 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43449821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).