2-[(7-heptan-4-yloxy-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid

C19H24N2O6 — CID 90258066

IUPAC2-[(7-heptan-4-yloxy-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
SMILESCCCC(CCC)Oc1ccc2c(O)c(C(=O)NCC(=O)O)c(=O)[nH]c2c1
InChIInChI=1S/C19H24N2O6/c1-3-5-11(6-4-2)27-12-7-8-13-14(9-12)21-19(26)16(17(13)24)18(25)20-10-15(22)23/h7-9,11H,3-6,10H2,1-2H3,(H,20,25)(H,22,23)(H2,21,24,26)
InChIKeyMSUHDOWOLLFMDI-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.40
Rot. Bonds9

About 2-[(7-heptan-4-yloxy-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid

2-[(7-heptan-4-yloxy-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid (PubChem CID 90258066) has the molecular formula C19H24N2O6 and a molecular weight of 376.41 g/mol. Its IUPAC name is 2-[(7-heptan-4-yloxy-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(7-heptan-4-yloxy-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
PubChem CID90258066
Molecular FormulaC19H24N2O6
Molecular Weight376.41 g/mol
Exact Mass376.16
IUPAC Name2-[(7-heptan-4-yloxy-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
SMILESCCCC(CCC)Oc1ccc2c(O)c(C(=O)NCC(=O)O)c(=O)[nH]c2c1
InChIInChI=1S/C19H24N2O6/c1-3-5-11(6-4-2)27-12-7-8-13-14(9-12)21-19(26)16(17(13)24)18(25)20-10-15(22)23/h7-9,11H,3-6,10H2,1-2H3,(H,20,25)(H,22,23)(H2,21,24,26)
InChIKeyMSUHDOWOLLFMDI-UHFFFAOYSA-N
XLogP2.40
TPSA128.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-heptan-4-yloxy-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(7-heptan-4-yloxy-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid (CID 90258066) is 2-[(7-heptan-4-yloxy-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(7-heptan-4-yloxy-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(7-heptan-4-yloxy-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid is CCCC(CCC)Oc1ccc2c(O)c(C(=O)NCC(=O)O)c(=O)[nH]c2c1.
What is the InChIKey of 2-[(7-heptan-4-yloxy-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid?
The InChIKey is MSUHDOWOLLFMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6/c1-3-5-11(6-4-2)27-12-7-8-13-14(9-12)21-19(26)16(17(13)24)18(25)20-10-15(22)23/h7-9,11H,3-6,10H2,1-2H3,(H,20,25)(H,22,23)(H2,21,24,26).
What are the key properties of 2-[(7-heptan-4-yloxy-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid?
2-[(7-heptan-4-yloxy-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid has a molecular weight of 376.41 g/mol, XLogP of 2.40, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-heptan-4-yloxy-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 90258066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).