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

C11H13N3O4 — CID 43382886

IUPAC6-(2-hydroxyethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(NCCO)c([N+](=O)[O-])cc2N1
InChIInChI=1S/C11H13N3O4/c15-4-3-12-9-5-7-1-2-11(16)13-8(7)6-10(9)14(17)18/h5-6,12,15H,1-4H2,(H,13,16)
InChIKeyZTOKOBPNDZVSMW-UHFFFAOYSA-N
MW251.24 g/mol
LogP0.88
Rot. Bonds4

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

6-(2-hydroxyethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43382886) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 6-(2-hydroxyethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(2-hydroxyethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
PubChem CID43382886
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name6-(2-hydroxyethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(NCCO)c([N+](=O)[O-])cc2N1
InChIInChI=1S/C11H13N3O4/c15-4-3-12-9-5-7-1-2-11(16)13-8(7)6-10(9)14(17)18/h5-6,12,15H,1-4H2,(H,13,16)
InChIKeyZTOKOBPNDZVSMW-UHFFFAOYSA-N
XLogP0.88
TPSA104.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 50.88
H-Bond Donors ≤ 53
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-[(7-nitro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanoic acid
CID 43449751
6-(3-hydroxybutylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 64910637
6-(ethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 43449821
6-(3-aminobutylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 63251145
6-[(2,2-difluoro-3-hydroxypropyl)amino]-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 106172099
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-(4-hydroxybutan-2-ylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 83186941
7-(3-methylbutylamino)-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 115585332
7-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 133496548
7-(hexylamino)-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 115585335
6-(2,2-dimethoxyethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 107390082

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(2-hydroxyethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one (CID 43382886) is 6-(2-hydroxyethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(2-hydroxyethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(2-hydroxyethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(NCCO)c([N+](=O)[O-])cc2N1.
What is the InChIKey of 6-(2-hydroxyethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ZTOKOBPNDZVSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c15-4-3-12-9-5-7-1-2-11(16)13-8(7)6-10(9)14(17)18/h5-6,12,15H,1-4H2,(H,13,16).
What are the key properties of 6-(2-hydroxyethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one?
6-(2-hydroxyethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 251.24 g/mol, XLogP of 0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43382886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).