1-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)quinolin-2-one

C16H18N2O4 — CID 20861806

IUPAC1-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)quinolin-2-one
SMILESCn1c(=O)cc(OCC(=O)N2CCOCC2)c2ccccc21
InChIInChI=1S/C16H18N2O4/c1-17-13-5-3-2-4-12(13)14(10-15(17)19)22-11-16(20)18-6-8-21-9-7-18/h2-5,10H,6-9,11H2,1H3
InChIKeyPEXITAVSUSYIAC-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.78
Rot. Bonds3

About 1-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)quinolin-2-one

1-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)quinolin-2-one (PubChem CID 20861806) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)quinolin-2-one.

Molecular Properties

Compound Name1-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)quinolin-2-one
PubChem CID20861806
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name1-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)quinolin-2-one
SMILESCn1c(=O)cc(OCC(=O)N2CCOCC2)c2ccccc21
InChIInChI=1S/C16H18N2O4/c1-17-13-5-3-2-4-12(13)14(10-15(17)19)22-11-16(20)18-6-8-21-9-7-18/h2-5,10H,6-9,11H2,1H3
InChIKeyPEXITAVSUSYIAC-UHFFFAOYSA-N
XLogP0.78
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)quinolin-2-one?
The IUPAC name of 1-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)quinolin-2-one (CID 20861806) is 1-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)quinolin-2-one.
What is the SMILES notation for 1-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)quinolin-2-one?
The canonical SMILES for 1-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)quinolin-2-one is Cn1c(=O)cc(OCC(=O)N2CCOCC2)c2ccccc21.
What is the InChIKey of 1-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)quinolin-2-one?
The InChIKey is PEXITAVSUSYIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-17-13-5-3-2-4-12(13)14(10-15(17)19)22-11-16(20)18-6-8-21-9-7-18/h2-5,10H,6-9,11H2,1H3.
What are the key properties of 1-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)quinolin-2-one?
1-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)quinolin-2-one has a molecular weight of 302.33 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)quinolin-2-one is sourced from PubChem (CID 20861806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).