1-[7-chloro-2-(4-chlorophenyl)quinolin-4-yl]-2-(1,4-oxazin-4-yl)ethanol

C21H16Cl2N2O2 — CID 90669670

IUPAC1-[7-chloro-2-(4-chlorophenyl)quinolin-4-yl]-2-(1,4-oxazin-4-yl)ethanol
SMILESOC(CN1C=COC=C1)c1cc(-c2ccc(Cl)cc2)nc2cc(Cl)ccc12
InChIInChI=1S/C21H16Cl2N2O2/c22-15-3-1-14(2-4-15)19-12-18(17-6-5-16(23)11-20(17)24-19)21(26)13-25-7-9-27-10-8-25/h1-12,21,26H,13H2
InChIKeyZRULYZRROBRLTH-UHFFFAOYSA-N
MW399.28 g/mol
LogP5.52
Rot. Bonds4

About 1-[7-chloro-2-(4-chlorophenyl)quinolin-4-yl]-2-(1,4-oxazin-4-yl)ethanol

1-[7-chloro-2-(4-chlorophenyl)quinolin-4-yl]-2-(1,4-oxazin-4-yl)ethanol (PubChem CID 90669670) has the molecular formula C21H16Cl2N2O2 and a molecular weight of 399.28 g/mol. Its IUPAC name is 1-[7-chloro-2-(4-chlorophenyl)quinolin-4-yl]-2-(1,4-oxazin-4-yl)ethanol.

Molecular Properties

Compound Name1-[7-chloro-2-(4-chlorophenyl)quinolin-4-yl]-2-(1,4-oxazin-4-yl)ethanol
PubChem CID90669670
Molecular FormulaC21H16Cl2N2O2
Molecular Weight399.28 g/mol
Exact Mass398.06
IUPAC Name1-[7-chloro-2-(4-chlorophenyl)quinolin-4-yl]-2-(1,4-oxazin-4-yl)ethanol
SMILESOC(CN1C=COC=C1)c1cc(-c2ccc(Cl)cc2)nc2cc(Cl)ccc12
InChIInChI=1S/C21H16Cl2N2O2/c22-15-3-1-14(2-4-15)19-12-18(17-6-5-16(23)11-20(17)24-19)21(26)13-25-7-9-27-10-8-25/h1-12,21,26H,13H2
InChIKeyZRULYZRROBRLTH-UHFFFAOYSA-N
XLogP5.52
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.28
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-(Benzylimino)-6-chloro-1,2,3,4,9,10-hexahydroacridin-1-ol
CID 3025611
1-Acridinol, 1,2,3,4-tetrahydro-9-(((4-chlorophenyl)methyl)amino)-
CID 3025623
Vacquinol-1
CID 224644
WR 30090
CID 31755
Montelukast alcohol
CID 11612270
1-[2-(4-Chlorophenyl)-6,8-dimethylquinolin-4-yl]-2-(dihexylamino)ethanol
CID 4162665
1-[7-Chloro-2-(4-chlorophenyl)-4-quinolinyl]-2-(dibutylamino)ethanol hydrochloride
CID 24185504
2-(Dibutylamino)-1-[6,8-dichloro-2-(4-chlorophenyl)-4-quinolinyl]ethanol hydrochloride
CID 24200355
(S)-[2-(4-chlorophenyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol
CID 3246043
1-[2-(4-Chlorophenyl)-7-methylquinolin-4-yl]-2-(octylamino)ethanol
CID 252648
1-[7-Chloro-2-(4-methoxyphenyl)quinolin-4-yl]-2-(diethylamino)ethanol;hydrochloride
CID 24188326
2-(Diethylamino)-1-[6,8-dimethyl-2-(4-methylphenyl)quinolin-4-yl]ethanol;hydrochloride
CID 44537251

Frequently Asked Questions

What is the IUPAC name of 1-[7-chloro-2-(4-chlorophenyl)quinolin-4-yl]-2-(1,4-oxazin-4-yl)ethanol?
The IUPAC name of 1-[7-chloro-2-(4-chlorophenyl)quinolin-4-yl]-2-(1,4-oxazin-4-yl)ethanol (CID 90669670) is 1-[7-chloro-2-(4-chlorophenyl)quinolin-4-yl]-2-(1,4-oxazin-4-yl)ethanol.
What is the SMILES notation for 1-[7-chloro-2-(4-chlorophenyl)quinolin-4-yl]-2-(1,4-oxazin-4-yl)ethanol?
The canonical SMILES for 1-[7-chloro-2-(4-chlorophenyl)quinolin-4-yl]-2-(1,4-oxazin-4-yl)ethanol is OC(CN1C=COC=C1)c1cc(-c2ccc(Cl)cc2)nc2cc(Cl)ccc12.
What is the InChIKey of 1-[7-chloro-2-(4-chlorophenyl)quinolin-4-yl]-2-(1,4-oxazin-4-yl)ethanol?
The InChIKey is ZRULYZRROBRLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2O2/c22-15-3-1-14(2-4-15)19-12-18(17-6-5-16(23)11-20(17)24-19)21(26)13-25-7-9-27-10-8-25/h1-12,21,26H,13H2.
What are the key properties of 1-[7-chloro-2-(4-chlorophenyl)quinolin-4-yl]-2-(1,4-oxazin-4-yl)ethanol?
1-[7-chloro-2-(4-chlorophenyl)quinolin-4-yl]-2-(1,4-oxazin-4-yl)ethanol has a molecular weight of 399.28 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-chloro-2-(4-chlorophenyl)quinolin-4-yl]-2-(1,4-oxazin-4-yl)ethanol is sourced from PubChem (CID 90669670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).