2-[(1-benzyl-4-hydroxy-2-oxo-6-propan-2-yloxyquinoline-3-carbonyl)amino]acetic acid

C22H22N2O6 — CID 54685233

IUPAC2-[(1-benzyl-4-hydroxy-2-oxo-6-propan-2-yloxyquinoline-3-carbonyl)amino]acetic acid
SMILESCC(C)Oc1ccc2c(c1)c(O)c(C(=O)NCC(=O)O)c(=O)n2Cc1ccccc1
InChIInChI=1S/C22H22N2O6/c1-13(2)30-15-8-9-17-16(10-15)20(27)19(21(28)23-11-18(25)26)22(29)24(17)12-14-6-4-3-5-7-14/h3-10,13,27H,11-12H2,1-2H3,(H,23,28)(H,25,26)
InChIKeyYWXXBNYLHKYLLM-UHFFFAOYSA-N
MW410.43 g/mol
LogP2.36
Rot. Bonds7

About 2-[(1-benzyl-4-hydroxy-2-oxo-6-propan-2-yloxyquinoline-3-carbonyl)amino]acetic acid

2-[(1-benzyl-4-hydroxy-2-oxo-6-propan-2-yloxyquinoline-3-carbonyl)amino]acetic acid (PubChem CID 54685233) has the molecular formula C22H22N2O6 and a molecular weight of 410.43 g/mol. Its IUPAC name is 2-[(1-benzyl-4-hydroxy-2-oxo-6-propan-2-yloxyquinoline-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-benzyl-4-hydroxy-2-oxo-6-propan-2-yloxyquinoline-3-carbonyl)amino]acetic acid
PubChem CID54685233
Molecular FormulaC22H22N2O6
Molecular Weight410.43 g/mol
Exact Mass410.15
IUPAC Name2-[(1-benzyl-4-hydroxy-2-oxo-6-propan-2-yloxyquinoline-3-carbonyl)amino]acetic acid
SMILESCC(C)Oc1ccc2c(c1)c(O)c(C(=O)NCC(=O)O)c(=O)n2Cc1ccccc1
InChIInChI=1S/C22H22N2O6/c1-13(2)30-15-8-9-17-16(10-15)20(27)19(21(28)23-11-18(25)26)22(29)24(17)12-14-6-4-3-5-7-14/h3-10,13,27H,11-12H2,1-2H3,(H,23,28)(H,25,26)
InChIKeyYWXXBNYLHKYLLM-UHFFFAOYSA-N
XLogP2.36
TPSA117.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(1-benzyl-4-hydroxy-2-oxo-6-propan-2-yloxyquinoline-3-carbonyl)amino]acetic acid with MolForge

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Related Compounds

2-[(1-benzyl-4-hydroxy-2-oxo-6-propoxyquinoline-3-carbonyl)amino]acetic acid
CID 143432319
2-[(1-benzyl-4,6,7-trihydroxy-2-oxoquinoline-3-carbonyl)amino]acetic acid
CID 54685179
2-[[6-fluoro-4-hydroxy-2-oxo-1-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]quinoline-3-carbonyl]amino]acetic acid
CID 54685191
2-[(7-benzyl-4-hydroxy-6-oxothieno[2,3-b]pyridine-5-carbonyl)amino]acetic acid
CID 54741193
2-[[6-fluoro-4-hydroxy-2-oxo-1-(3-phenylpropyl)quinoline-3-carbonyl]amino]acetic acid
CID 70316747
2-[[1-[(4-tert-butylphenyl)methyl]-7-chloro-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 54685209
2-[(4-hydroxy-2-oxo-7-propan-2-yloxy-1H-quinoline-3-carbonyl)amino]acetic acid
CID 90258389
2-[[1-[(2,3-difluorophenyl)methyl]-6-fluoro-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 70316876
2-[[1-benzyl-4-hydroxy-3-[(3-methoxyphenyl)methyl]-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
CID 24831505
ethyl 1-benzyl-6-chloro-4-hydroxy-2-oxoquinoline-3-carboxylate
CID 69477265
2-[(1-benzyl-6-hydroxy-2,4-dioxo-3-propylpyrimidine-5-carbonyl)amino]acetic acid
CID 24831663
1-benzyl-N-[3-(diethylamino)propyl]-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54685643

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzyl-4-hydroxy-2-oxo-6-propan-2-yloxyquinoline-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(1-benzyl-4-hydroxy-2-oxo-6-propan-2-yloxyquinoline-3-carbonyl)amino]acetic acid (CID 54685233) is 2-[(1-benzyl-4-hydroxy-2-oxo-6-propan-2-yloxyquinoline-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(1-benzyl-4-hydroxy-2-oxo-6-propan-2-yloxyquinoline-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(1-benzyl-4-hydroxy-2-oxo-6-propan-2-yloxyquinoline-3-carbonyl)amino]acetic acid is CC(C)Oc1ccc2c(c1)c(O)c(C(=O)NCC(=O)O)c(=O)n2Cc1ccccc1.
What is the InChIKey of 2-[(1-benzyl-4-hydroxy-2-oxo-6-propan-2-yloxyquinoline-3-carbonyl)amino]acetic acid?
The InChIKey is YWXXBNYLHKYLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O6/c1-13(2)30-15-8-9-17-16(10-15)20(27)19(21(28)23-11-18(25)26)22(29)24(17)12-14-6-4-3-5-7-14/h3-10,13,27H,11-12H2,1-2H3,(H,23,28)(H,25,26).
What are the key properties of 2-[(1-benzyl-4-hydroxy-2-oxo-6-propan-2-yloxyquinoline-3-carbonyl)amino]acetic acid?
2-[(1-benzyl-4-hydroxy-2-oxo-6-propan-2-yloxyquinoline-3-carbonyl)amino]acetic acid has a molecular weight of 410.43 g/mol, XLogP of 2.36, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzyl-4-hydroxy-2-oxo-6-propan-2-yloxyquinoline-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 54685233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).