5-(3-chloro-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one

C12H14ClNO3 — CID 15571791

IUPAC5-(3-chloro-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(cccc2OCC(O)CCl)N1
InChIInChI=1S/C12H14ClNO3/c13-6-8(15)7-17-11-3-1-2-10-9(11)4-5-12(16)14-10/h1-3,8,15H,4-7H2,(H,14,16)
InChIKeyBYCWTLNAPPAPAN-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.55
Rot. Bonds4

About 5-(3-chloro-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one

5-(3-chloro-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 15571791) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is 5-(3-chloro-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-(3-chloro-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one
PubChem CID15571791
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name5-(3-chloro-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(cccc2OCC(O)CCl)N1
InChIInChI=1S/C12H14ClNO3/c13-6-8(15)7-17-11-3-1-2-10-9(11)4-5-12(16)14-10/h1-3,8,15H,4-7H2,(H,14,16)
InChIKeyBYCWTLNAPPAPAN-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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Related Compounds

Carteolol
CID 2583
Carteolol Hydrochloride
CID 40127
7-(Benzyloxy)-3,4-dihydrocarbostyril
CID 44362531
(-)-Carteolol
CID 6604410
7-(2-phenylethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 72191365
7-(3-phenylpropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 72191366
7-hex-5-ynoxy-3,4-dihydro-1H-quinolin-2-one
CID 76321757
2(1H)-Quinolinone, 3,4-dihydro-5-(2-hydroxy-3-((phenylmethyl)amino)propoxy)-, monohydrochloride
CID 3040187
2(1H)-Quinolinone, 3,4-dihydro-5-(3-(cyclohexylamino)-2-hydroxypropoxy)-, monohydrochloride
CID 3040189
2(1H)-Quinolinone, 3,4-dihydro-5-(3-(cyclohexylamino)-2-hydroxypropoxy)-1-ethyl-, monohydrochloride
CID 3040193
2(1H)-Quinolinone, 3,4-dihydro-5-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-1-(2-propenyl)-, monohydrochloride
CID 3049950
Piperidinium, 1-(2-hydroxy-3-((1,2,3,4-tetrahydro-2-oxo-5-quinolinyl)oxy)propyl)-1-methyl-4-phenyl-, iodide
CID 3061014

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 5-(3-chloro-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one (CID 15571791) is 5-(3-chloro-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 5-(3-chloro-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 5-(3-chloro-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2c(cccc2OCC(O)CCl)N1.
What is the InChIKey of 5-(3-chloro-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is BYCWTLNAPPAPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c13-6-8(15)7-17-11-3-1-2-10-9(11)4-5-12(16)14-10/h1-3,8,15H,4-7H2,(H,14,16).
What are the key properties of 5-(3-chloro-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one?
5-(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 5-(3-chloro-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 15571791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).