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

C15H16N2O6 — CID 90258389

IUPAC2-[(4-hydroxy-2-oxo-7-propan-2-yloxy-1H-quinoline-3-carbonyl)amino]acetic acid
SMILESCC(C)Oc1ccc2c(O)c(C(=O)NCC(=O)O)c(=O)[nH]c2c1
InChIInChI=1S/C15H16N2O6/c1-7(2)23-8-3-4-9-10(5-8)17-15(22)12(13(9)20)14(21)16-6-11(18)19/h3-5,7H,6H2,1-2H3,(H,16,21)(H,18,19)(H2,17,20,22)
InChIKeyRQTMVLJNOZQXOA-UHFFFAOYSA-N
MW320.30 g/mol
LogP0.84
Rot. Bonds5

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

2-[(4-hydroxy-2-oxo-7-propan-2-yloxy-1H-quinoline-3-carbonyl)amino]acetic acid (PubChem CID 90258389) has the molecular formula C15H16N2O6 and a molecular weight of 320.30 g/mol. Its IUPAC name is 2-[(4-hydroxy-2-oxo-7-propan-2-yloxy-1H-quinoline-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-hydroxy-2-oxo-7-propan-2-yloxy-1H-quinoline-3-carbonyl)amino]acetic acid
PubChem CID90258389
Molecular FormulaC15H16N2O6
Molecular Weight320.30 g/mol
Exact Mass320.10
IUPAC Name2-[(4-hydroxy-2-oxo-7-propan-2-yloxy-1H-quinoline-3-carbonyl)amino]acetic acid
SMILESCC(C)Oc1ccc2c(O)c(C(=O)NCC(=O)O)c(=O)[nH]c2c1
InChIInChI=1S/C15H16N2O6/c1-7(2)23-8-3-4-9-10(5-8)17-15(22)12(13(9)20)14(21)16-6-11(18)19/h3-5,7H,6H2,1-2H3,(H,16,21)(H,18,19)(H2,17,20,22)
InChIKeyRQTMVLJNOZQXOA-UHFFFAOYSA-N
XLogP0.84
TPSA128.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 50.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[(4-hydroxy-2-oxo-7-propan-2-yloxy-1H-quinoline-3-carbonyl)amino]acetic acid with MolForge

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Related Compounds

2-[(7-heptan-4-yloxy-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
CID 90258066
2-[(1-benzyl-4-hydroxy-2-oxo-6-propan-2-yloxyquinoline-3-carbonyl)amino]acetic acid
CID 54685233
7-[4-[(7-acetamido-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]phenoxy]heptanoic acid
CID 54708239
6-propan-2-yloxy-1,4-dihydroquinoxaline-2,3-dione
CID 146342056
4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 54684670
2-[[4-hydroxy-6-(5-methoxy-2-pyridinyl)-2-oxo-8-phenylmethoxy-1H-quinoline-3-carbonyl]amino]acetic acid
CID 90258245
2-[[4-hydroxy-8-methoxy-2-oxo-6-(trifluoromethyl)-1H-quinoline-3-carbonyl]amino]acetic acid
CID 90258096
2-[(7-amino-8-benzyl-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
CID 69398878
4-hydroxy-N-(3-hydroxypropyl)-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide
CID 54682415
2-[[8-[(4-bromophenyl)methyl]-6-fluoro-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl]amino]acetic acid
CID 69397091
3-methoxy-4-phenylmethoxy-7-propan-2-yloxy-1H-quinolin-2-one
CID 139717954
2-[(4-hydroxy-2-oxo-6-phenoxy-8-prop-2-enoxy-1H-quinoline-3-carbonyl)amino]acetic acid
CID 90258751

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-2-oxo-7-propan-2-yloxy-1H-quinoline-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(4-hydroxy-2-oxo-7-propan-2-yloxy-1H-quinoline-3-carbonyl)amino]acetic acid (CID 90258389) is 2-[(4-hydroxy-2-oxo-7-propan-2-yloxy-1H-quinoline-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-hydroxy-2-oxo-7-propan-2-yloxy-1H-quinoline-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(4-hydroxy-2-oxo-7-propan-2-yloxy-1H-quinoline-3-carbonyl)amino]acetic acid is CC(C)Oc1ccc2c(O)c(C(=O)NCC(=O)O)c(=O)[nH]c2c1.
What is the InChIKey of 2-[(4-hydroxy-2-oxo-7-propan-2-yloxy-1H-quinoline-3-carbonyl)amino]acetic acid?
The InChIKey is RQTMVLJNOZQXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O6/c1-7(2)23-8-3-4-9-10(5-8)17-15(22)12(13(9)20)14(21)16-6-11(18)19/h3-5,7H,6H2,1-2H3,(H,16,21)(H,18,19)(H2,17,20,22).
What are the key properties of 2-[(4-hydroxy-2-oxo-7-propan-2-yloxy-1H-quinoline-3-carbonyl)amino]acetic acid?
2-[(4-hydroxy-2-oxo-7-propan-2-yloxy-1H-quinoline-3-carbonyl)amino]acetic acid has a molecular weight of 320.30 g/mol, XLogP of 0.84, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-2-oxo-7-propan-2-yloxy-1H-quinoline-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 90258389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).