8-(3-chloro-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one

C12H14ClNO3 — CID 20540658

IUPAC8-(3-chloro-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cccc(OCC(O)CCl)c2N1
InChIInChI=1S/C12H14ClNO3/c13-6-9(15)7-17-10-3-1-2-8-4-5-11(16)14-12(8)10/h1-3,9,15H,4-7H2,(H,14,16)
InChIKeyJECYKENBCVYIPQ-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.55
Rot. Bonds4

About 8-(3-chloro-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one

8-(3-chloro-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 20540658) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is 8-(3-chloro-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name8-(3-chloro-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one
PubChem CID20540658
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name8-(3-chloro-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cccc(OCC(O)CCl)c2N1
InChIInChI=1S/C12H14ClNO3/c13-6-9(15)7-17-10-3-1-2-8-4-5-11(16)14-12(8)10/h1-3,9,15H,4-7H2,(H,14,16)
InChIKeyJECYKENBCVYIPQ-UHFFFAOYSA-N
XLogP1.55
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(3-chloro-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 8-(3-chloro-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one (CID 20540658) is 8-(3-chloro-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 8-(3-chloro-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 8-(3-chloro-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cccc(OCC(O)CCl)c2N1.
What is the InChIKey of 8-(3-chloro-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is JECYKENBCVYIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c13-6-9(15)7-17-10-3-1-2-8-4-5-11(16)14-12(8)10/h1-3,9,15H,4-7H2,(H,14,16).
What are the key properties of 8-(3-chloro-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one?
8-(3-chloro-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 255.70 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chloro-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 20540658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).