2-[[6-(benzhydrylcarbamoyl)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid

C27H23N3O6 — CID 118934623

IUPAC2-[[6-(benzhydrylcarbamoyl)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid
SMILESCn1c(=O)c(C(=O)NCC(=O)O)c(O)c2cc(C(=O)NC(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C27H23N3O6/c1-30-20-13-12-18(14-19(20)24(33)22(27(30)36)26(35)28-15-21(31)32)25(34)29-23(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,23,33H,15H2,1H3,(H,28,35)(H,29,34)(H,31,32)
InChIKeyOPCQAEMSWMAQML-UHFFFAOYSA-N
MW485.50 g/mol
LogP2.58
Rot. Bonds7

About 2-[[6-(benzhydrylcarbamoyl)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid

2-[[6-(benzhydrylcarbamoyl)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid (PubChem CID 118934623) has the molecular formula C27H23N3O6 and a molecular weight of 485.50 g/mol. Its IUPAC name is 2-[[6-(benzhydrylcarbamoyl)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[6-(benzhydrylcarbamoyl)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid
PubChem CID118934623
Molecular FormulaC27H23N3O6
Molecular Weight485.50 g/mol
Exact Mass485.16
IUPAC Name2-[[6-(benzhydrylcarbamoyl)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid
SMILESCn1c(=O)c(C(=O)NCC(=O)O)c(O)c2cc(C(=O)NC(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C27H23N3O6/c1-30-20-13-12-18(14-19(20)24(33)22(27(30)36)26(35)28-15-21(31)32)25(34)29-23(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,23,33H,15H2,1H3,(H,28,35)(H,29,34)(H,31,32)
InChIKeyOPCQAEMSWMAQML-UHFFFAOYSA-N
XLogP2.58
TPSA137.73 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.50
LogP ≤ 52.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[[6-(benzhydrylcarbamoyl)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid with MolForge

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Related Compounds

N-benzhydryl-4-hydroxy-1,3-dimethyl-2-oxoquinoline-6-carboxamide
CID 166804668
2-[(6-cyano-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]acetic acid
CID 59340046
2-[(4-hydroxy-1-methyl-2-oxo-7-phenylquinoline-3-carbonyl)amino]acetic acid
CID 54681700
2-[[6-[[[(2S)-2-[[(2S)-2-benzamido-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]methyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 54741414
2-[[4-hydroxy-1-methyl-7-(2-methylphenyl)-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 59340054
2-[(5-hydroxy-8-methyl-7-oxo-2-phenylpyrido[2,3-d]pyrimidine-6-carbonyl)amino]acetic acid
CID 54741099
2-[[6-[[[2-[[(2S)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]acetyl]amino]methyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 54741405
methyl 2-[(4-hydroxy-1,6-dimethyl-2-oxoquinoline-3-carbonyl)amino]acetate
CID 143487152
2-[[6-[[[(2S)-2-[[(2S)-2-(2,2-dimethylpropanoylamino)-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]methyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 54741425
2-[[6-[[[(2R)-2-[[(2R)-2-(2,2-dimethylpropanoylamino)-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]methyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 71699751
2-[(4-hydroxy-1-methyl-2-oxo-7-thiophen-3-ylquinoline-3-carbonyl)amino]acetic acid
CID 59340126
2-[[2-(2-chlorophenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl]amino]acetic acid
CID 54751416

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(benzhydrylcarbamoyl)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[6-(benzhydrylcarbamoyl)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid (CID 118934623) is 2-[[6-(benzhydrylcarbamoyl)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[6-(benzhydrylcarbamoyl)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[6-(benzhydrylcarbamoyl)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid is Cn1c(=O)c(C(=O)NCC(=O)O)c(O)c2cc(C(=O)NC(c3ccccc3)c3ccccc3)ccc21.
What is the InChIKey of 2-[[6-(benzhydrylcarbamoyl)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid?
The InChIKey is OPCQAEMSWMAQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O6/c1-30-20-13-12-18(14-19(20)24(33)22(27(30)36)26(35)28-15-21(31)32)25(34)29-23(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,23,33H,15H2,1H3,(H,28,35)(H,29,34)(H,31,32).
What are the key properties of 2-[[6-(benzhydrylcarbamoyl)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid?
2-[[6-(benzhydrylcarbamoyl)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid has a molecular weight of 485.50 g/mol, XLogP of 2.58, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(benzhydrylcarbamoyl)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 118934623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).