2-[[4-(6-methoxy-1-oxoisoquinolin-2-yl)benzoyl]amino]acetic acid

C19H16N2O5 — CID 172839557

IUPAC2-[[4-(6-methoxy-1-oxoisoquinolin-2-yl)benzoyl]amino]acetic acid
SMILESCOc1ccc2c(=O)n(-c3ccc(C(=O)NCC(=O)O)cc3)ccc2c1
InChIInChI=1S/C19H16N2O5/c1-26-15-6-7-16-13(10-15)8-9-21(19(16)25)14-4-2-12(3-5-14)18(24)20-11-17(22)23/h2-10H,11H2,1H3,(H,20,24)(H,22,23)
InChIKeyWPNDITOSXNCISV-UHFFFAOYSA-N
MW352.35 g/mol
LogP1.81
Rot. Bonds5

About 2-[[4-(6-methoxy-1-oxoisoquinolin-2-yl)benzoyl]amino]acetic acid

2-[[4-(6-methoxy-1-oxoisoquinolin-2-yl)benzoyl]amino]acetic acid (PubChem CID 172839557) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is 2-[[4-(6-methoxy-1-oxoisoquinolin-2-yl)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-(6-methoxy-1-oxoisoquinolin-2-yl)benzoyl]amino]acetic acid
PubChem CID172839557
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Name2-[[4-(6-methoxy-1-oxoisoquinolin-2-yl)benzoyl]amino]acetic acid
SMILESCOc1ccc2c(=O)n(-c3ccc(C(=O)NCC(=O)O)cc3)ccc2c1
InChIInChI=1S/C19H16N2O5/c1-26-15-6-7-16-13(10-15)8-9-21(19(16)25)14-4-2-12(3-5-14)18(24)20-11-17(22)23/h2-10H,11H2,1H3,(H,20,24)(H,22,23)
InChIKeyWPNDITOSXNCISV-UHFFFAOYSA-N
XLogP1.81
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[4-(6-methoxy-1-oxoisoquinolin-2-yl)benzoyl]amino]acetic acid with MolForge

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Related Compounds

2-[(6-methoxyisoquinoline-1-carbonyl)amino]acetic acid
CID 82571597
methyl 2-[[1-(4-methoxyphenyl)-6-oxopyridine-3-carbonyl]amino]acetate
CID 91945548
3-(4-methoxyphenyl)-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide
CID 39314202
2-[(4-methoxybenzoyl)amino]acetate
CID 6920131
2-[[3,4-bis[(4-methoxyphenyl)methoxy]benzoyl]amino]acetic acid
CID 175227608
2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]acetic acid
CID 119171465
2-[[4-[(2-amino-4-methoxybenzoyl)amino]benzoyl]amino]acetic acid
CID 110452010
tert-butyl 2-[(4-methoxybenzoyl)amino]acetate
CID 135045716
3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide
CID 39334024
6-methoxy-2-[(4-methoxyphenyl)methyl]isoquinolin-1-one
CID 127034647
6-methoxy-2-methyl-1-oxo-N-(pyridin-4-ylmethyl)isoquinoline-3-carboxamide
CID 172892804
2-[[4-(3-oxo-1,2-benzoselenazol-2-yl)benzoyl]amino]acetic acid
CID 86038438

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(6-methoxy-1-oxoisoquinolin-2-yl)benzoyl]amino]acetic acid?
The IUPAC name of 2-[[4-(6-methoxy-1-oxoisoquinolin-2-yl)benzoyl]amino]acetic acid (CID 172839557) is 2-[[4-(6-methoxy-1-oxoisoquinolin-2-yl)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-(6-methoxy-1-oxoisoquinolin-2-yl)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-(6-methoxy-1-oxoisoquinolin-2-yl)benzoyl]amino]acetic acid is COc1ccc2c(=O)n(-c3ccc(C(=O)NCC(=O)O)cc3)ccc2c1.
What is the InChIKey of 2-[[4-(6-methoxy-1-oxoisoquinolin-2-yl)benzoyl]amino]acetic acid?
The InChIKey is WPNDITOSXNCISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5/c1-26-15-6-7-16-13(10-15)8-9-21(19(16)25)14-4-2-12(3-5-14)18(24)20-11-17(22)23/h2-10H,11H2,1H3,(H,20,24)(H,22,23).
What are the key properties of 2-[[4-(6-methoxy-1-oxoisoquinolin-2-yl)benzoyl]amino]acetic acid?
2-[[4-(6-methoxy-1-oxoisoquinolin-2-yl)benzoyl]amino]acetic acid has a molecular weight of 352.35 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(6-methoxy-1-oxoisoquinolin-2-yl)benzoyl]amino]acetic acid is sourced from PubChem (CID 172839557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).