2-(1,2-dimethyl-6-morpholin-4-yl-4-oxoquinolin-3-yl)acetic acid

C17H20N2O4 — CID 82240026

IUPAC2-(1,2-dimethyl-6-morpholin-4-yl-4-oxoquinolin-3-yl)acetic acid
SMILESCc1c(CC(=O)O)c(=O)c2cc(N3CCOCC3)ccc2n1C
InChIInChI=1S/C17H20N2O4/c1-11-13(10-16(20)21)17(22)14-9-12(3-4-15(14)18(11)2)19-5-7-23-8-6-19/h3-4,9H,5-8,10H2,1-2H3,(H,20,21)
InChIKeyPSXWGTCSIRISLI-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.31
Rot. Bonds3

About 2-(1,2-dimethyl-6-morpholin-4-yl-4-oxoquinolin-3-yl)acetic acid

2-(1,2-dimethyl-6-morpholin-4-yl-4-oxoquinolin-3-yl)acetic acid (PubChem CID 82240026) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-(1,2-dimethyl-6-morpholin-4-yl-4-oxoquinolin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1,2-dimethyl-6-morpholin-4-yl-4-oxoquinolin-3-yl)acetic acid
PubChem CID82240026
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name2-(1,2-dimethyl-6-morpholin-4-yl-4-oxoquinolin-3-yl)acetic acid
SMILESCc1c(CC(=O)O)c(=O)c2cc(N3CCOCC3)ccc2n1C
InChIInChI=1S/C17H20N2O4/c1-11-13(10-16(20)21)17(22)14-9-12(3-4-15(14)18(11)2)19-5-7-23-8-6-19/h3-4,9H,5-8,10H2,1-2H3,(H,20,21)
InChIKeyPSXWGTCSIRISLI-UHFFFAOYSA-N
XLogP1.31
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethyl-6-morpholin-4-yl-4-oxoquinolin-3-yl)acetic acid?
The IUPAC name of 2-(1,2-dimethyl-6-morpholin-4-yl-4-oxoquinolin-3-yl)acetic acid (CID 82240026) is 2-(1,2-dimethyl-6-morpholin-4-yl-4-oxoquinolin-3-yl)acetic acid.
What is the SMILES notation for 2-(1,2-dimethyl-6-morpholin-4-yl-4-oxoquinolin-3-yl)acetic acid?
The canonical SMILES for 2-(1,2-dimethyl-6-morpholin-4-yl-4-oxoquinolin-3-yl)acetic acid is Cc1c(CC(=O)O)c(=O)c2cc(N3CCOCC3)ccc2n1C.
What is the InChIKey of 2-(1,2-dimethyl-6-morpholin-4-yl-4-oxoquinolin-3-yl)acetic acid?
The InChIKey is PSXWGTCSIRISLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-11-13(10-16(20)21)17(22)14-9-12(3-4-15(14)18(11)2)19-5-7-23-8-6-19/h3-4,9H,5-8,10H2,1-2H3,(H,20,21).
What are the key properties of 2-(1,2-dimethyl-6-morpholin-4-yl-4-oxoquinolin-3-yl)acetic acid?
2-(1,2-dimethyl-6-morpholin-4-yl-4-oxoquinolin-3-yl)acetic acid has a molecular weight of 316.36 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethyl-6-morpholin-4-yl-4-oxoquinolin-3-yl)acetic acid is sourced from PubChem (CID 82240026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).