2-[[4-hydroxy-6-(5-methoxy-2-pyridinyl)-2-oxo-8-phenylmethoxy-1H-quinoline-3-carbonyl]amino]acetic acid

C25H21N3O7 — CID 90258245

IUPAC2-[[4-hydroxy-6-(5-methoxy-2-pyridinyl)-2-oxo-8-phenylmethoxy-1H-quinoline-3-carbonyl]amino]acetic acid
SMILESCOc1ccc(-c2cc(OCc3ccccc3)c3[nH]c(=O)c(C(=O)NCC(=O)O)c(O)c3c2)nc1
InChIInChI=1S/C25H21N3O7/c1-34-16-7-8-18(26-11-16)15-9-17-22(19(10-15)35-13-14-5-3-2-4-6-14)28-25(33)21(23(17)31)24(32)27-12-20(29)30/h2-11H,12-13H2,1H3,(H,27,32)(H,29,30)(H2,28,31,33)
InChIKeyPESRZQSXGFGBGU-UHFFFAOYSA-N
MW475.46 g/mol
LogP2.70
Rot. Bonds8

About 2-[[4-hydroxy-6-(5-methoxy-2-pyridinyl)-2-oxo-8-phenylmethoxy-1H-quinoline-3-carbonyl]amino]acetic acid

2-[[4-hydroxy-6-(5-methoxy-2-pyridinyl)-2-oxo-8-phenylmethoxy-1H-quinoline-3-carbonyl]amino]acetic acid (PubChem CID 90258245) has the molecular formula C25H21N3O7 and a molecular weight of 475.46 g/mol. Its IUPAC name is 2-[[4-hydroxy-6-(5-methoxy-2-pyridinyl)-2-oxo-8-phenylmethoxy-1H-quinoline-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-hydroxy-6-(5-methoxy-2-pyridinyl)-2-oxo-8-phenylmethoxy-1H-quinoline-3-carbonyl]amino]acetic acid
PubChem CID90258245
Molecular FormulaC25H21N3O7
Molecular Weight475.46 g/mol
Exact Mass475.14
IUPAC Name2-[[4-hydroxy-6-(5-methoxy-2-pyridinyl)-2-oxo-8-phenylmethoxy-1H-quinoline-3-carbonyl]amino]acetic acid
SMILESCOc1ccc(-c2cc(OCc3ccccc3)c3[nH]c(=O)c(C(=O)NCC(=O)O)c(O)c3c2)nc1
InChIInChI=1S/C25H21N3O7/c1-34-16-7-8-18(26-11-16)15-9-17-22(19(10-15)35-13-14-5-3-2-4-6-14)28-25(33)21(23(17)31)24(32)27-12-20(29)30/h2-11H,12-13H2,1H3,(H,27,32)(H,29,30)(H2,28,31,33)
InChIKeyPESRZQSXGFGBGU-UHFFFAOYSA-N
XLogP2.70
TPSA150.84 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.46
LogP ≤ 52.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[[4-hydroxy-6-(5-methoxy-2-pyridinyl)-2-oxo-8-phenylmethoxy-1H-quinoline-3-carbonyl]amino]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

2-[(4-hydroxy-2-oxo-6-phenoxy-8-prop-2-enoxy-1H-quinoline-3-carbonyl)amino]acetic acid
CID 90258751
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
2-[(6-methoxy-3-phenylmethoxyquinoline-2-carbonyl)amino]acetic acid
CID 19692181
2-[(4-hydroxy-2-oxo-7-propan-2-yloxy-1H-quinoline-3-carbonyl)amino]acetic acid
CID 90258389
2-[[3,4-bis[(4-methoxyphenyl)methoxy]benzoyl]amino]acetic acid
CID 175227608
4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 54684670
2-[(7-heptan-4-yloxy-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
CID 90258066
5-(4-methoxy-3-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402081
2-[[8-[(4-bromophenyl)methyl]-6-fluoro-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl]amino]acetic acid
CID 69397091
2-(4-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865855
3-methoxy-2-(4-methoxy-2-phenylmethoxyphenyl)-3-oxopropanoic acid
CID 138968259

Frequently Asked Questions

What is the IUPAC name of 2-[[4-hydroxy-6-(5-methoxy-2-pyridinyl)-2-oxo-8-phenylmethoxy-1H-quinoline-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[4-hydroxy-6-(5-methoxy-2-pyridinyl)-2-oxo-8-phenylmethoxy-1H-quinoline-3-carbonyl]amino]acetic acid (CID 90258245) is 2-[[4-hydroxy-6-(5-methoxy-2-pyridinyl)-2-oxo-8-phenylmethoxy-1H-quinoline-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-hydroxy-6-(5-methoxy-2-pyridinyl)-2-oxo-8-phenylmethoxy-1H-quinoline-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[4-hydroxy-6-(5-methoxy-2-pyridinyl)-2-oxo-8-phenylmethoxy-1H-quinoline-3-carbonyl]amino]acetic acid is COc1ccc(-c2cc(OCc3ccccc3)c3[nH]c(=O)c(C(=O)NCC(=O)O)c(O)c3c2)nc1.
What is the InChIKey of 2-[[4-hydroxy-6-(5-methoxy-2-pyridinyl)-2-oxo-8-phenylmethoxy-1H-quinoline-3-carbonyl]amino]acetic acid?
The InChIKey is PESRZQSXGFGBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O7/c1-34-16-7-8-18(26-11-16)15-9-17-22(19(10-15)35-13-14-5-3-2-4-6-14)28-25(33)21(23(17)31)24(32)27-12-20(29)30/h2-11H,12-13H2,1H3,(H,27,32)(H,29,30)(H2,28,31,33).
What are the key properties of 2-[[4-hydroxy-6-(5-methoxy-2-pyridinyl)-2-oxo-8-phenylmethoxy-1H-quinoline-3-carbonyl]amino]acetic acid?
2-[[4-hydroxy-6-(5-methoxy-2-pyridinyl)-2-oxo-8-phenylmethoxy-1H-quinoline-3-carbonyl]amino]acetic acid has a molecular weight of 475.46 g/mol, XLogP of 2.70, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-hydroxy-6-(5-methoxy-2-pyridinyl)-2-oxo-8-phenylmethoxy-1H-quinoline-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 90258245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).