6,8-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)-1H-quinolin-2-one

C18H22N2O3 — CID 110331533

IUPAC6,8-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)-1H-quinolin-2-one
SMILESCc1cc(C)c2[nH]c(=O)c(CCC(=O)N3CCOCC3)cc2c1
InChIInChI=1S/C18H22N2O3/c1-12-9-13(2)17-15(10-12)11-14(18(22)19-17)3-4-16(21)20-5-7-23-8-6-20/h9-11H,3-8H2,1-2H3,(H,19,22)
InChIKeySTTARHCSVWGKIU-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.94
Rot. Bonds3

About 6,8-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)-1H-quinolin-2-one

6,8-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)-1H-quinolin-2-one (PubChem CID 110331533) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 6,8-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6,8-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)-1H-quinolin-2-one
PubChem CID110331533
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name6,8-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)-1H-quinolin-2-one
SMILESCc1cc(C)c2[nH]c(=O)c(CCC(=O)N3CCOCC3)cc2c1
InChIInChI=1S/C18H22N2O3/c1-12-9-13(2)17-15(10-12)11-14(18(22)19-17)3-4-16(21)20-5-7-23-8-6-20/h9-11H,3-8H2,1-2H3,(H,19,22)
InChIKeySTTARHCSVWGKIU-UHFFFAOYSA-N
XLogP1.94
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)-1H-quinolin-2-one?
The IUPAC name of 6,8-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)-1H-quinolin-2-one (CID 110331533) is 6,8-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)-1H-quinolin-2-one.
What is the SMILES notation for 6,8-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)-1H-quinolin-2-one?
The canonical SMILES for 6,8-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)-1H-quinolin-2-one is Cc1cc(C)c2[nH]c(=O)c(CCC(=O)N3CCOCC3)cc2c1.
What is the InChIKey of 6,8-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)-1H-quinolin-2-one?
The InChIKey is STTARHCSVWGKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-12-9-13(2)17-15(10-12)11-14(18(22)19-17)3-4-16(21)20-5-7-23-8-6-20/h9-11H,3-8H2,1-2H3,(H,19,22).
What are the key properties of 6,8-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)-1H-quinolin-2-one?
6,8-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)-1H-quinolin-2-one has a molecular weight of 314.38 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)-1H-quinolin-2-one is sourced from PubChem (CID 110331533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).