2-[(4-hydroxy-1-methyl-6-morpholin-4-yl-2-oxoquinoline-3-carbonyl)amino]acetic acid

C17H19N3O6 — CID 59340093

IUPAC2-[(4-hydroxy-1-methyl-6-morpholin-4-yl-2-oxoquinoline-3-carbonyl)amino]acetic acid
SMILESCn1c(=O)c(C(=O)NCC(=O)O)c(O)c2cc(N3CCOCC3)ccc21
InChIInChI=1S/C17H19N3O6/c1-19-12-3-2-10(20-4-6-26-7-5-20)8-11(12)15(23)14(17(19)25)16(24)18-9-13(21)22/h2-3,8,23H,4-7,9H2,1H3,(H,18,24)(H,21,22)
InChIKeyBLFWXXSWDRFNQD-UHFFFAOYSA-N
MW361.35 g/mol
LogP-0.10
Rot. Bonds4

About 2-[(4-hydroxy-1-methyl-6-morpholin-4-yl-2-oxoquinoline-3-carbonyl)amino]acetic acid

2-[(4-hydroxy-1-methyl-6-morpholin-4-yl-2-oxoquinoline-3-carbonyl)amino]acetic acid (PubChem CID 59340093) has the molecular formula C17H19N3O6 and a molecular weight of 361.35 g/mol. Its IUPAC name is 2-[(4-hydroxy-1-methyl-6-morpholin-4-yl-2-oxoquinoline-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-hydroxy-1-methyl-6-morpholin-4-yl-2-oxoquinoline-3-carbonyl)amino]acetic acid
PubChem CID59340093
Molecular FormulaC17H19N3O6
Molecular Weight361.35 g/mol
Exact Mass361.13
IUPAC Name2-[(4-hydroxy-1-methyl-6-morpholin-4-yl-2-oxoquinoline-3-carbonyl)amino]acetic acid
SMILESCn1c(=O)c(C(=O)NCC(=O)O)c(O)c2cc(N3CCOCC3)ccc21
InChIInChI=1S/C17H19N3O6/c1-19-12-3-2-10(20-4-6-26-7-5-20)8-11(12)15(23)14(17(19)25)16(24)18-9-13(21)22/h2-3,8,23H,4-7,9H2,1H3,(H,18,24)(H,21,22)
InChIKeyBLFWXXSWDRFNQD-UHFFFAOYSA-N
XLogP-0.10
TPSA121.10 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-1-methyl-6-morpholin-4-yl-2-oxoquinoline-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(4-hydroxy-1-methyl-6-morpholin-4-yl-2-oxoquinoline-3-carbonyl)amino]acetic acid (CID 59340093) is 2-[(4-hydroxy-1-methyl-6-morpholin-4-yl-2-oxoquinoline-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-hydroxy-1-methyl-6-morpholin-4-yl-2-oxoquinoline-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(4-hydroxy-1-methyl-6-morpholin-4-yl-2-oxoquinoline-3-carbonyl)amino]acetic acid is Cn1c(=O)c(C(=O)NCC(=O)O)c(O)c2cc(N3CCOCC3)ccc21.
What is the InChIKey of 2-[(4-hydroxy-1-methyl-6-morpholin-4-yl-2-oxoquinoline-3-carbonyl)amino]acetic acid?
The InChIKey is BLFWXXSWDRFNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O6/c1-19-12-3-2-10(20-4-6-26-7-5-20)8-11(12)15(23)14(17(19)25)16(24)18-9-13(21)22/h2-3,8,23H,4-7,9H2,1H3,(H,18,24)(H,21,22).
What are the key properties of 2-[(4-hydroxy-1-methyl-6-morpholin-4-yl-2-oxoquinoline-3-carbonyl)amino]acetic acid?
2-[(4-hydroxy-1-methyl-6-morpholin-4-yl-2-oxoquinoline-3-carbonyl)amino]acetic acid has a molecular weight of 361.35 g/mol, XLogP of -0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-1-methyl-6-morpholin-4-yl-2-oxoquinoline-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 59340093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).