7-nitro-6-[2-(propan-2-ylamino)ethoxy]-3,4-dihydro-1H-quinolin-2-one

C14H19N3O4 — CID 62349118

IUPAC7-nitro-6-[2-(propan-2-ylamino)ethoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)NCCOc1cc2c(cc1[N+](=O)[O-])NC(=O)CC2
InChIInChI=1S/C14H19N3O4/c1-9(2)15-5-6-21-13-7-10-3-4-14(18)16-11(10)8-12(13)17(19)20/h7-9,15H,3-6H2,1-2H3,(H,16,18)
InChIKeyQXQGPFOKKJOWEV-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.86
Rot. Bonds6

About 7-nitro-6-[2-(propan-2-ylamino)ethoxy]-3,4-dihydro-1H-quinolin-2-one

7-nitro-6-[2-(propan-2-ylamino)ethoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 62349118) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 7-nitro-6-[2-(propan-2-ylamino)ethoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-nitro-6-[2-(propan-2-ylamino)ethoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID62349118
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name7-nitro-6-[2-(propan-2-ylamino)ethoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)NCCOc1cc2c(cc1[N+](=O)[O-])NC(=O)CC2
InChIInChI=1S/C14H19N3O4/c1-9(2)15-5-6-21-13-7-10-3-4-14(18)16-11(10)8-12(13)17(19)20/h7-9,15H,3-6H2,1-2H3,(H,16,18)
InChIKeyQXQGPFOKKJOWEV-UHFFFAOYSA-N
XLogP1.86
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-nitro-6-[2-(propan-2-ylamino)ethoxy]-1,3-dihydroindol-2-one
CID 62349261
7-nitro-6-(pyrrolidin-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 62348479
6-(3-hydroxybutylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 64910637
5-nitro-6-[2-(propylamino)ethoxy]-1,3-dihydroindol-2-one
CID 62347548
6-(3-aminobutylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 63251145
7-(3-methylbutylamino)-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 115585332
6-(ethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 43449821
6-(2,2-dimethoxyethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 107390082
6-[2-(dimethylamino)propylamino]-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 61043811
6-(4-hydroxybutan-2-ylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 83186941
7-methyl-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 66881586
6-(3-hydroxy-2-methylpropyl)sulfanyl-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 66103519

Frequently Asked Questions

What is the IUPAC name of 7-nitro-6-[2-(propan-2-ylamino)ethoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-nitro-6-[2-(propan-2-ylamino)ethoxy]-3,4-dihydro-1H-quinolin-2-one (CID 62349118) is 7-nitro-6-[2-(propan-2-ylamino)ethoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-nitro-6-[2-(propan-2-ylamino)ethoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-nitro-6-[2-(propan-2-ylamino)ethoxy]-3,4-dihydro-1H-quinolin-2-one is CC(C)NCCOc1cc2c(cc1[N+](=O)[O-])NC(=O)CC2.
What is the InChIKey of 7-nitro-6-[2-(propan-2-ylamino)ethoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is QXQGPFOKKJOWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-9(2)15-5-6-21-13-7-10-3-4-14(18)16-11(10)8-12(13)17(19)20/h7-9,15H,3-6H2,1-2H3,(H,16,18).
What are the key properties of 7-nitro-6-[2-(propan-2-ylamino)ethoxy]-3,4-dihydro-1H-quinolin-2-one?
7-nitro-6-[2-(propan-2-ylamino)ethoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 293.32 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitro-6-[2-(propan-2-ylamino)ethoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 62349118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).