1-ethyl-3-methyl-6-morpholin-4-yl-2-phenylquinolin-4-one

C22H24N2O2 — CID 516414

IUPAC1-ethyl-3-methyl-6-morpholin-4-yl-2-phenylquinolin-4-one
SMILESCCn1c(-c2ccccc2)c(C)c(=O)c2cc(N3CCOCC3)ccc21
InChIInChI=1S/C22H24N2O2/c1-3-24-20-10-9-18(23-11-13-26-14-12-23)15-19(20)22(25)16(2)21(24)17-7-5-4-6-8-17/h4-10,15H,3,11-14H2,1-2H3
InChIKeyMWJHQFFPYDHNOD-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.83
Rot. Bonds3

About 1-ethyl-3-methyl-6-morpholin-4-yl-2-phenylquinolin-4-one

1-ethyl-3-methyl-6-morpholin-4-yl-2-phenylquinolin-4-one (PubChem CID 516414) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-ethyl-3-methyl-6-morpholin-4-yl-2-phenylquinolin-4-one.

Molecular Properties

Compound Name1-ethyl-3-methyl-6-morpholin-4-yl-2-phenylquinolin-4-one
PubChem CID516414
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name1-ethyl-3-methyl-6-morpholin-4-yl-2-phenylquinolin-4-one
SMILESCCn1c(-c2ccccc2)c(C)c(=O)c2cc(N3CCOCC3)ccc21
InChIInChI=1S/C22H24N2O2/c1-3-24-20-10-9-18(23-11-13-26-14-12-23)15-19(20)22(25)16(2)21(24)17-7-5-4-6-8-17/h4-10,15H,3,11-14H2,1-2H3
InChIKeyMWJHQFFPYDHNOD-UHFFFAOYSA-N
XLogP3.83
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-6-morpholin-4-yl-2-phenylquinolin-4-one?
The IUPAC name of 1-ethyl-3-methyl-6-morpholin-4-yl-2-phenylquinolin-4-one (CID 516414) is 1-ethyl-3-methyl-6-morpholin-4-yl-2-phenylquinolin-4-one.
What is the SMILES notation for 1-ethyl-3-methyl-6-morpholin-4-yl-2-phenylquinolin-4-one?
The canonical SMILES for 1-ethyl-3-methyl-6-morpholin-4-yl-2-phenylquinolin-4-one is CCn1c(-c2ccccc2)c(C)c(=O)c2cc(N3CCOCC3)ccc21.
What is the InChIKey of 1-ethyl-3-methyl-6-morpholin-4-yl-2-phenylquinolin-4-one?
The InChIKey is MWJHQFFPYDHNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-3-24-20-10-9-18(23-11-13-26-14-12-23)15-19(20)22(25)16(2)21(24)17-7-5-4-6-8-17/h4-10,15H,3,11-14H2,1-2H3.
What are the key properties of 1-ethyl-3-methyl-6-morpholin-4-yl-2-phenylquinolin-4-one?
1-ethyl-3-methyl-6-morpholin-4-yl-2-phenylquinolin-4-one has a molecular weight of 348.45 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-6-morpholin-4-yl-2-phenylquinolin-4-one is sourced from PubChem (CID 516414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).