1-(3-chloro-2-nitrosopropoxy)-3,4-dihydroquinolin-2-one

C12H13ClN2O3 — CID 57023332

IUPAC1-(3-chloro-2-nitrosopropoxy)-3,4-dihydroquinolin-2-one
SMILESO=NC(CCl)CON1C(=O)CCc2ccccc21
InChIInChI=1S/C12H13ClN2O3/c13-7-10(14-17)8-18-15-11-4-2-1-3-9(11)5-6-12(15)16/h1-4,10H,5-8H2
InChIKeyOICVXRYEPFPPTJ-UHFFFAOYSA-N
MW268.70 g/mol
LogP2.27
Rot. Bonds5

About 1-(3-chloro-2-nitrosopropoxy)-3,4-dihydroquinolin-2-one

1-(3-chloro-2-nitrosopropoxy)-3,4-dihydroquinolin-2-one (PubChem CID 57023332) has the molecular formula C12H13ClN2O3 and a molecular weight of 268.70 g/mol. Its IUPAC name is 1-(3-chloro-2-nitrosopropoxy)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-(3-chloro-2-nitrosopropoxy)-3,4-dihydroquinolin-2-one
PubChem CID57023332
Molecular FormulaC12H13ClN2O3
Molecular Weight268.70 g/mol
Exact Mass268.06
IUPAC Name1-(3-chloro-2-nitrosopropoxy)-3,4-dihydroquinolin-2-one
SMILESO=NC(CCl)CON1C(=O)CCc2ccccc21
InChIInChI=1S/C12H13ClN2O3/c13-7-10(14-17)8-18-15-11-4-2-1-3-9(11)5-6-12(15)16/h1-4,10H,5-8H2
InChIKeyOICVXRYEPFPPTJ-UHFFFAOYSA-N
XLogP2.27
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(2-oxo-3,4-dihydroquinolin-1-yl)oxy]butoxy]-3,4-dihydroquinolin-2-one
CID 69185939
1-(aminomethoxy)-3,4-dihydroquinolin-2-one;hydrochloride
CID 67793338
1-[3-tert-butylimino-2-(hydroxyamino)propoxy]-3,4-dihydroquinolin-2-one
CID 57051183
1-[4-[(S)-phenylsulfinyl]butoxy]-3,4-dihydroquinolin-2-one
CID 70607968
1-(2-chloroethyl)-3,4-dihydroquinolin-2-one
CID 12992360
benzyl 7-[(2-oxo-3,4-dihydroquinolin-1-yl)oxy]heptanoate
CID 70553378
1-piperidin-1-yl-3,4-dihydroquinolin-2-one
CID 19094699
1-(tetrazolidin-1-yloxy)-3,4-dihydroquinolin-2-one
CID 141227679
1-ethyl-3,4-dihydroquinolin-2-one
CID 14580225
1-[2-hydroxy-1-(4-phenylbut-2-enylamino)propoxy]-3,4-dihydroquinolin-2-one
CID 70414389
2-chloro-1-(11,12-dihydro-6H-benzo[c][1]benzazocin-5-yl)ethanone
CID 125472514
1-[(2S)-2-hydroxypropyl]-3,4-dihydroquinolin-2-one
CID 103935304

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-nitrosopropoxy)-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-(3-chloro-2-nitrosopropoxy)-3,4-dihydroquinolin-2-one (CID 57023332) is 1-(3-chloro-2-nitrosopropoxy)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-(3-chloro-2-nitrosopropoxy)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-(3-chloro-2-nitrosopropoxy)-3,4-dihydroquinolin-2-one is O=NC(CCl)CON1C(=O)CCc2ccccc21.
What is the InChIKey of 1-(3-chloro-2-nitrosopropoxy)-3,4-dihydroquinolin-2-one?
The InChIKey is OICVXRYEPFPPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3/c13-7-10(14-17)8-18-15-11-4-2-1-3-9(11)5-6-12(15)16/h1-4,10H,5-8H2.
What are the key properties of 1-(3-chloro-2-nitrosopropoxy)-3,4-dihydroquinolin-2-one?
1-(3-chloro-2-nitrosopropoxy)-3,4-dihydroquinolin-2-one has a molecular weight of 268.70 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-nitrosopropoxy)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 57023332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).