[2-(2-chlorophenyl)quinolin-4-yl]-morpholin-4-ylmethanone

C20H17ClN2O2 — CID 1220093

IUPAC[2-(2-chlorophenyl)quinolin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(-c2ccccc2Cl)nc2ccccc12)N1CCOCC1
InChIInChI=1S/C20H17ClN2O2/c21-17-7-3-1-6-15(17)19-13-16(14-5-2-4-8-18(14)22-19)20(24)23-9-11-25-12-10-23/h1-8,13H,9-12H2
InChIKeyCVRSQYOBFDTSCU-UHFFFAOYSA-N
MW352.82 g/mol
LogP4.03
Rot. Bonds2

About [2-(2-chlorophenyl)quinolin-4-yl]-morpholin-4-ylmethanone

[2-(2-chlorophenyl)quinolin-4-yl]-morpholin-4-ylmethanone (PubChem CID 1220093) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is [2-(2-chlorophenyl)quinolin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(2-chlorophenyl)quinolin-4-yl]-morpholin-4-ylmethanone
PubChem CID1220093
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC Name[2-(2-chlorophenyl)quinolin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(-c2ccccc2Cl)nc2ccccc12)N1CCOCC1
InChIInChI=1S/C20H17ClN2O2/c21-17-7-3-1-6-15(17)19-13-16(14-5-2-4-8-18(14)22-19)20(24)23-9-11-25-12-10-23/h1-8,13H,9-12H2
InChIKeyCVRSQYOBFDTSCU-UHFFFAOYSA-N
XLogP4.03
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)quinolin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(2-chlorophenyl)quinolin-4-yl]-morpholin-4-ylmethanone (CID 1220093) is [2-(2-chlorophenyl)quinolin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(2-chlorophenyl)quinolin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(2-chlorophenyl)quinolin-4-yl]-morpholin-4-ylmethanone is O=C(c1cc(-c2ccccc2Cl)nc2ccccc12)N1CCOCC1.
What is the InChIKey of [2-(2-chlorophenyl)quinolin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is CVRSQYOBFDTSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c21-17-7-3-1-6-15(17)19-13-16(14-5-2-4-8-18(14)22-19)20(24)23-9-11-25-12-10-23/h1-8,13H,9-12H2.
What are the key properties of [2-(2-chlorophenyl)quinolin-4-yl]-morpholin-4-ylmethanone?
[2-(2-chlorophenyl)quinolin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 352.82 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)quinolin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 1220093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).