4-amino-5-[2-[(3-hydroxybenzoyl)amino]propoxy]-2-methylquinoline-3-carboxylic acid

C21H21N3O5 — CID 54588550

IUPAC4-amino-5-[2-[(3-hydroxybenzoyl)amino]propoxy]-2-methylquinoline-3-carboxylic acid
SMILESCc1nc2cccc(OCC(C)NC(=O)c3cccc(O)c3)c2c(N)c1C(=O)O
InChIInChI=1S/C21H21N3O5/c1-11(23-20(26)13-5-3-6-14(25)9-13)10-29-16-8-4-7-15-18(16)19(22)17(21(27)28)12(2)24-15/h3-9,11,25H,10H2,1-2H3,(H2,22,24)(H,23,26)(H,27,28)
InChIKeyXUCJOOQXQNMFHY-UHFFFAOYSA-N
MW395.42 g/mol
LogP2.73
Rot. Bonds6

About 4-amino-5-[2-[(3-hydroxybenzoyl)amino]propoxy]-2-methylquinoline-3-carboxylic acid

4-amino-5-[2-[(3-hydroxybenzoyl)amino]propoxy]-2-methylquinoline-3-carboxylic acid (PubChem CID 54588550) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is 4-amino-5-[2-[(3-hydroxybenzoyl)amino]propoxy]-2-methylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-5-[2-[(3-hydroxybenzoyl)amino]propoxy]-2-methylquinoline-3-carboxylic acid
PubChem CID54588550
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC Name4-amino-5-[2-[(3-hydroxybenzoyl)amino]propoxy]-2-methylquinoline-3-carboxylic acid
SMILESCc1nc2cccc(OCC(C)NC(=O)c3cccc(O)c3)c2c(N)c1C(=O)O
InChIInChI=1S/C21H21N3O5/c1-11(23-20(26)13-5-3-6-14(25)9-13)10-29-16-8-4-7-15-18(16)19(22)17(21(27)28)12(2)24-15/h3-9,11,25H,10H2,1-2H3,(H2,22,24)(H,23,26)(H,27,28)
InChIKeyXUCJOOQXQNMFHY-UHFFFAOYSA-N
XLogP2.73
TPSA134.77 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-5-[2-[[3-hydroxy-4-(3-hydroxypropoxy)benzoyl]amino]propoxy]-2-methylquinoline-3-carboxylic acid
CID 139421887
4-amino-5-[(2S)-2-[[3-(3-hydroxypropoxy)-4-methoxybenzoyl]amino]propoxy]-2-methylquinoline-3-carboxylic acid
CID 66746126
4-amino-5-[2-[(3,5-dihydroxybenzoyl)amino]butoxy]-2-methylquinoline-3-carboxylic acid
CID 54588194
4-amino-5-[2-(2,3-dihydro-1,4-benzodioxine-5-carbonylamino)propoxy]-2-methylquinoline-3-carboxylic acid
CID 54588105
N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]benzamide
CID 58460351
4-amino-2-methyl-5-[2-[(2-methyloxolane-3-carbonyl)amino]propoxy]quinoline-3-carboxylic acid
CID 175051022
4-amino-2-methyl-5-(2-propylpentoxy)quinoline-3-carboxylic acid
CID 71815973
4-amino-5-(2-benzamido-2-methylpropoxy)-2-methylquinoline-3-carboxylic acid
CID 54588745
4-amino-5-[2-[(6-hydroxycyclohepta-1,3,6-triene-1-carbonyl)amino]-3-methylbutoxy]-2-methylquinoline-3-carboxylic acid
CID 139421852
N-[(2S)-1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3-hydroxybenzamide
CID 58460428
N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-3-methylbenzamide;carbon dioxide
CID 123575535
4-amino-5-[2-[(3-methoxybenzoyl)amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid
CID 54588746

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[2-[(3-hydroxybenzoyl)amino]propoxy]-2-methylquinoline-3-carboxylic acid?
The IUPAC name of 4-amino-5-[2-[(3-hydroxybenzoyl)amino]propoxy]-2-methylquinoline-3-carboxylic acid (CID 54588550) is 4-amino-5-[2-[(3-hydroxybenzoyl)amino]propoxy]-2-methylquinoline-3-carboxylic acid.
What is the SMILES notation for 4-amino-5-[2-[(3-hydroxybenzoyl)amino]propoxy]-2-methylquinoline-3-carboxylic acid?
The canonical SMILES for 4-amino-5-[2-[(3-hydroxybenzoyl)amino]propoxy]-2-methylquinoline-3-carboxylic acid is Cc1nc2cccc(OCC(C)NC(=O)c3cccc(O)c3)c2c(N)c1C(=O)O.
What is the InChIKey of 4-amino-5-[2-[(3-hydroxybenzoyl)amino]propoxy]-2-methylquinoline-3-carboxylic acid?
The InChIKey is XUCJOOQXQNMFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5/c1-11(23-20(26)13-5-3-6-14(25)9-13)10-29-16-8-4-7-15-18(16)19(22)17(21(27)28)12(2)24-15/h3-9,11,25H,10H2,1-2H3,(H2,22,24)(H,23,26)(H,27,28).
What are the key properties of 4-amino-5-[2-[(3-hydroxybenzoyl)amino]propoxy]-2-methylquinoline-3-carboxylic acid?
4-amino-5-[2-[(3-hydroxybenzoyl)amino]propoxy]-2-methylquinoline-3-carboxylic acid has a molecular weight of 395.42 g/mol, XLogP of 2.73, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[2-[(3-hydroxybenzoyl)amino]propoxy]-2-methylquinoline-3-carboxylic acid is sourced from PubChem (CID 54588550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).