1-[3-(2-hydroxyethylamino)propyl]-6-nitro-3,4-dihydroquinolin-2-one

C14H19N3O4 — CID 57343560

IUPAC1-[3-(2-hydroxyethylamino)propyl]-6-nitro-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2cc([N+](=O)[O-])ccc2N1CCCNCCO
InChIInChI=1S/C14H19N3O4/c18-9-7-15-6-1-8-16-13-4-3-12(17(20)21)10-11(13)2-5-14(16)19/h3-4,10,15,18H,1-2,5-9H2
InChIKeyPTJZLBDEQZYSNW-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.85
Rot. Bonds7

About 1-[3-(2-hydroxyethylamino)propyl]-6-nitro-3,4-dihydroquinolin-2-one

1-[3-(2-hydroxyethylamino)propyl]-6-nitro-3,4-dihydroquinolin-2-one (PubChem CID 57343560) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-[3-(2-hydroxyethylamino)propyl]-6-nitro-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[3-(2-hydroxyethylamino)propyl]-6-nitro-3,4-dihydroquinolin-2-one
PubChem CID57343560
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name1-[3-(2-hydroxyethylamino)propyl]-6-nitro-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2cc([N+](=O)[O-])ccc2N1CCCNCCO
InChIInChI=1S/C14H19N3O4/c18-9-7-15-6-1-8-16-13-4-3-12(17(20)21)10-11(13)2-5-14(16)19/h3-4,10,15,18H,1-2,5-9H2
InChIKeyPTJZLBDEQZYSNW-UHFFFAOYSA-N
XLogP0.85
TPSA95.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.85
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

6-nitro-1-[3-(propylamino)propyl]-3,4-dihydroquinolin-2-one
CID 61387942
1-(2-hydroxyethyl)-7-nitro-4,5-dihydro-3H-1-benzazepin-2-one
CID 43509796
methyl-[2-(6-nitro-2-oxo-3,4-dihydroquinolin-1-yl)ethyl]carbamic acid
CID 123878031
1-[2-(ethylamino)ethyl]-7-nitro-4,5-dihydro-3H-1-benzazepin-2-one
CID 61388078
1-[[1-(bromomethyl)cyclobutyl]methyl]-6-nitro-3,4-dihydroquinolin-2-one
CID 65007670
4-(5-nitro-2-oxo-3H-indol-1-yl)butanehydrazide
CID 63577959
1-[2-(bromomethyl)-3-methylbutyl]-6-nitro-3,4-dihydroquinolin-2-one
CID 65011642
1-ethyl-6-(4-nitroanilino)-3,4-dihydroquinolin-2-one
CID 133459327
1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-6-nitro-3,4-dihydroquinolin-2-one
CID 170748114
1-(3-hydroxybutyl)-5-nitro-3H-indol-2-one
CID 114983007
7-nitro-1-(2-oxobutyl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 62039969
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-nitrobenzamide
CID 40946921

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-hydroxyethylamino)propyl]-6-nitro-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[3-(2-hydroxyethylamino)propyl]-6-nitro-3,4-dihydroquinolin-2-one (CID 57343560) is 1-[3-(2-hydroxyethylamino)propyl]-6-nitro-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[3-(2-hydroxyethylamino)propyl]-6-nitro-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[3-(2-hydroxyethylamino)propyl]-6-nitro-3,4-dihydroquinolin-2-one is O=C1CCc2cc([N+](=O)[O-])ccc2N1CCCNCCO.
What is the InChIKey of 1-[3-(2-hydroxyethylamino)propyl]-6-nitro-3,4-dihydroquinolin-2-one?
The InChIKey is PTJZLBDEQZYSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c18-9-7-15-6-1-8-16-13-4-3-12(17(20)21)10-11(13)2-5-14(16)19/h3-4,10,15,18H,1-2,5-9H2.
What are the key properties of 1-[3-(2-hydroxyethylamino)propyl]-6-nitro-3,4-dihydroquinolin-2-one?
1-[3-(2-hydroxyethylamino)propyl]-6-nitro-3,4-dihydroquinolin-2-one has a molecular weight of 293.32 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-hydroxyethylamino)propyl]-6-nitro-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 57343560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).