1-(6-chloro-2-morpholin-4-yl-4-phenylquinolin-3-yl)ethanone

C21H19ClN2O2 — CID 1068792

IUPAC1-(6-chloro-2-morpholin-4-yl-4-phenylquinolin-3-yl)ethanone
SMILESCC(=O)c1c(N2CCOCC2)nc2ccc(Cl)cc2c1-c1ccccc1
InChIInChI=1S/C21H19ClN2O2/c1-14(25)19-20(15-5-3-2-4-6-15)17-13-16(22)7-8-18(17)23-21(19)24-9-11-26-12-10-24/h2-8,13H,9-12H2,1H3
InChIKeyCYPSZHYLGWWEHM-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.59
Rot. Bonds3

About 1-(6-chloro-2-morpholin-4-yl-4-phenylquinolin-3-yl)ethanone

1-(6-chloro-2-morpholin-4-yl-4-phenylquinolin-3-yl)ethanone (PubChem CID 1068792) has the molecular formula C21H19ClN2O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is 1-(6-chloro-2-morpholin-4-yl-4-phenylquinolin-3-yl)ethanone.

Molecular Properties

Compound Name1-(6-chloro-2-morpholin-4-yl-4-phenylquinolin-3-yl)ethanone
PubChem CID1068792
Molecular FormulaC21H19ClN2O2
Molecular Weight366.85 g/mol
Exact Mass366.11
IUPAC Name1-(6-chloro-2-morpholin-4-yl-4-phenylquinolin-3-yl)ethanone
SMILESCC(=O)c1c(N2CCOCC2)nc2ccc(Cl)cc2c1-c1ccccc1
InChIInChI=1S/C21H19ClN2O2/c1-14(25)19-20(15-5-3-2-4-6-15)17-13-16(22)7-8-18(17)23-21(19)24-9-11-26-12-10-24/h2-8,13H,9-12H2,1H3
InChIKeyCYPSZHYLGWWEHM-UHFFFAOYSA-N
XLogP4.59
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-morpholin-4-yl-4-phenylquinolin-3-yl)ethanone?
The IUPAC name of 1-(6-chloro-2-morpholin-4-yl-4-phenylquinolin-3-yl)ethanone (CID 1068792) is 1-(6-chloro-2-morpholin-4-yl-4-phenylquinolin-3-yl)ethanone.
What is the SMILES notation for 1-(6-chloro-2-morpholin-4-yl-4-phenylquinolin-3-yl)ethanone?
The canonical SMILES for 1-(6-chloro-2-morpholin-4-yl-4-phenylquinolin-3-yl)ethanone is CC(=O)c1c(N2CCOCC2)nc2ccc(Cl)cc2c1-c1ccccc1.
What is the InChIKey of 1-(6-chloro-2-morpholin-4-yl-4-phenylquinolin-3-yl)ethanone?
The InChIKey is CYPSZHYLGWWEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2/c1-14(25)19-20(15-5-3-2-4-6-15)17-13-16(22)7-8-18(17)23-21(19)24-9-11-26-12-10-24/h2-8,13H,9-12H2,1H3.
What are the key properties of 1-(6-chloro-2-morpholin-4-yl-4-phenylquinolin-3-yl)ethanone?
1-(6-chloro-2-morpholin-4-yl-4-phenylquinolin-3-yl)ethanone has a molecular weight of 366.85 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-morpholin-4-yl-4-phenylquinolin-3-yl)ethanone is sourced from PubChem (CID 1068792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).