2-morpholin-4-yl-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone

C24H30N2O2 — CID 2864971

IUPAC2-morpholin-4-yl-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone
SMILESCC1(c2ccccc2)CC(C)(C)N(C(=O)CN2CCOCC2)c2ccccc21
InChIInChI=1S/C24H30N2O2/c1-23(2)18-24(3,19-9-5-4-6-10-19)20-11-7-8-12-21(20)26(23)22(27)17-25-13-15-28-16-14-25/h4-12H,13-18H2,1-3H3
InChIKeyQTVAJBLMMUICPW-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.84
Rot. Bonds3

About 2-morpholin-4-yl-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone

2-morpholin-4-yl-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone (PubChem CID 2864971) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-morpholin-4-yl-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-morpholin-4-yl-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone
PubChem CID2864971
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name2-morpholin-4-yl-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone
SMILESCC1(c2ccccc2)CC(C)(C)N(C(=O)CN2CCOCC2)c2ccccc21
InChIInChI=1S/C24H30N2O2/c1-23(2)18-24(3,19-9-5-4-6-10-19)20-11-7-8-12-21(20)26(23)22(27)17-25-13-15-28-16-14-25/h4-12H,13-18H2,1-3H3
InChIKeyQTVAJBLMMUICPW-UHFFFAOYSA-N
XLogP3.84
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone?
The IUPAC name of 2-morpholin-4-yl-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone (CID 2864971) is 2-morpholin-4-yl-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-morpholin-4-yl-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-morpholin-4-yl-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone is CC1(c2ccccc2)CC(C)(C)N(C(=O)CN2CCOCC2)c2ccccc21.
What is the InChIKey of 2-morpholin-4-yl-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone?
The InChIKey is QTVAJBLMMUICPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-23(2)18-24(3,19-9-5-4-6-10-19)20-11-7-8-12-21(20)26(23)22(27)17-25-13-15-28-16-14-25/h4-12H,13-18H2,1-3H3.
What are the key properties of 2-morpholin-4-yl-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone?
2-morpholin-4-yl-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone has a molecular weight of 378.52 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone is sourced from PubChem (CID 2864971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).