2-[(7-amino-8-benzyl-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid

C19H17N3O5 — CID 69398878

IUPAC2-[(7-amino-8-benzyl-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
SMILESNc1ccc2c(O)c(C(=O)NCC(=O)O)c(=O)[nH]c2c1Cc1ccccc1
InChIInChI=1S/C19H17N3O5/c20-13-7-6-11-16(12(13)8-10-4-2-1-3-5-10)22-19(27)15(17(11)25)18(26)21-9-14(23)24/h1-7H,8-9,20H2,(H,21,26)(H,23,24)(H2,22,25,27)
InChIKeyQFQINTBUMASTRR-UHFFFAOYSA-N
MW367.36 g/mol
LogP1.22
Rot. Bonds5

About 2-[(7-amino-8-benzyl-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid

2-[(7-amino-8-benzyl-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid (PubChem CID 69398878) has the molecular formula C19H17N3O5 and a molecular weight of 367.36 g/mol. Its IUPAC name is 2-[(7-amino-8-benzyl-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(7-amino-8-benzyl-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
PubChem CID69398878
Molecular FormulaC19H17N3O5
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC Name2-[(7-amino-8-benzyl-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
SMILESNc1ccc2c(O)c(C(=O)NCC(=O)O)c(=O)[nH]c2c1Cc1ccccc1
InChIInChI=1S/C19H17N3O5/c20-13-7-6-11-16(12(13)8-10-4-2-1-3-5-10)22-19(27)15(17(11)25)18(26)21-9-14(23)24/h1-7H,8-9,20H2,(H,21,26)(H,23,24)(H2,22,25,27)
InChIKeyQFQINTBUMASTRR-UHFFFAOYSA-N
XLogP1.22
TPSA145.51 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 51.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[[8-[(4-bromophenyl)methyl]-6-fluoro-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl]amino]acetic acid
CID 69397091
2-[[4-hydroxy-6-(5-methoxy-2-pyridinyl)-2-oxo-8-phenylmethoxy-1H-quinoline-3-carbonyl]amino]acetic acid
CID 90258245
2-[(4-hydroxy-2-oxo-6-phenoxy-8-prop-2-enoxy-1H-quinoline-3-carbonyl)amino]acetic acid
CID 90258751
2-[(4-hydroxy-2-oxo-7-propan-2-yloxy-1H-quinoline-3-carbonyl)amino]acetic acid
CID 90258389
2-[(4-aminonaphthalene-1-carbonyl)amino]acetic acid
CID 164662945
2-[(6-benzyl-4-hydroxy-1,5,7-trimethyl-2-oxopyrrolo[1,2-b]pyridazine-3-carbonyl)amino]acetic acid
CID 54738393
2-[[4-hydroxy-8-methoxy-2-oxo-6-(trifluoromethyl)-1H-quinoline-3-carbonyl]amino]acetic acid
CID 90258096
2-[(7-heptan-4-yloxy-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
CID 90258066
4-hydroxy-2-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide
CID 54706702
(3,6-diamino-2-benzylphenyl)-phenylmethanone
CID 154320576
2-[(1-benzyl-4,6,7-trihydroxy-2-oxoquinoline-3-carbonyl)amino]acetic acid
CID 54685179
2-[(7-benzyl-4-hydroxy-6-oxothieno[2,3-b]pyridine-5-carbonyl)amino]acetic acid
CID 54741193

Frequently Asked Questions

What is the IUPAC name of 2-[(7-amino-8-benzyl-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(7-amino-8-benzyl-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid (CID 69398878) is 2-[(7-amino-8-benzyl-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(7-amino-8-benzyl-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(7-amino-8-benzyl-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid is Nc1ccc2c(O)c(C(=O)NCC(=O)O)c(=O)[nH]c2c1Cc1ccccc1.
What is the InChIKey of 2-[(7-amino-8-benzyl-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid?
The InChIKey is QFQINTBUMASTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5/c20-13-7-6-11-16(12(13)8-10-4-2-1-3-5-10)22-19(27)15(17(11)25)18(26)21-9-14(23)24/h1-7H,8-9,20H2,(H,21,26)(H,23,24)(H2,22,25,27).
What are the key properties of 2-[(7-amino-8-benzyl-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid?
2-[(7-amino-8-benzyl-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid has a molecular weight of 367.36 g/mol, XLogP of 1.22, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-amino-8-benzyl-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 69398878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).