2-[[2-amino-3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-2-yl)propanoyl]amino]benzoic acid

C21H20N4O4 — CID 54585613

IUPAC2-[[2-amino-3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-2-yl)propanoyl]amino]benzoic acid
SMILESNC(Cc1cc2n(n1)-c1ccc(O)cc1CC2)C(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C21H20N4O4/c22-17(20(27)23-18-4-2-1-3-16(18)21(28)29)11-13-10-14-6-5-12-9-15(26)7-8-19(12)25(14)24-13/h1-4,7-10,17,26H,5-6,11,22H2,(H,23,27)(H,28,29)
InChIKeyGUWCDBJDNOANAZ-UHFFFAOYSA-N
MW392.42 g/mol
LogP1.88
Rot. Bonds5

About 2-[[2-amino-3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-2-yl)propanoyl]amino]benzoic acid

2-[[2-amino-3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-2-yl)propanoyl]amino]benzoic acid (PubChem CID 54585613) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is 2-[[2-amino-3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-2-yl)propanoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[2-amino-3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-2-yl)propanoyl]amino]benzoic acid
PubChem CID54585613
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Name2-[[2-amino-3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-2-yl)propanoyl]amino]benzoic acid
SMILESNC(Cc1cc2n(n1)-c1ccc(O)cc1CC2)C(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C21H20N4O4/c22-17(20(27)23-18-4-2-1-3-16(18)21(28)29)11-13-10-14-6-5-12-9-15(26)7-8-19(12)25(14)24-13/h1-4,7-10,17,26H,5-6,11,22H2,(H,23,27)(H,28,29)
InChIKeyGUWCDBJDNOANAZ-UHFFFAOYSA-N
XLogP1.88
TPSA130.47 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 51.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[[2-amino-3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-2-yl)propanoyl]amino]benzoic acid with MolForge

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Related Compounds

2-(3-(7-Hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-3-yl)propanamido)benzoic acid
CID 11494579
2-{3-[1-(4-hydroxyphenyl)-5-methyl-1H-pyrazol-4-yl]propanamido}benzoic acid
CID 24741307
2-(3-(7-Hydroxypyrazolo[1,5-a]quinolin-3-yl)propanamido)cyclohex-1-enecarboxylic acid
CID 42625476
2-(3-(7-Hydroxy-[1,2,3]triazolo[1,5-a]quinolin-3-yl)propanamido)benzoic acid
CID 11501698
[5-[2-(3-Hydroxyphenyl)ethylamino]-1-phenyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 146641788
2-(3-(7-Hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-2-yl)propanamido)benzoic acid
CID 54580748
N-[2-(dimethylamino)ethyl]-4-hydroxy-14-(2-pyrrolidin-1-ylethyl)-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carboxamide
CID 135404798
N,14-bis[2-(dimethylamino)ethyl]-4-hydroxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carboxamide
CID 135475671
N-[2-(dimethylamino)ethyl]-4-hydroxy-14-(2-piperidin-1-ylethyl)-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carboxamide
CID 135509728
[2-(4-Hydroxyphenyl)-5-(2-phenylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 155554849
N-[2-(dimethylamino)ethyl]-14-[3-(dimethylamino)propyl]-4-hydroxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carboxamide
CID 135437173
US9765056, Example 148
CID 121362709

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-2-yl)propanoyl]amino]benzoic acid?
The IUPAC name of 2-[[2-amino-3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-2-yl)propanoyl]amino]benzoic acid (CID 54585613) is 2-[[2-amino-3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-2-yl)propanoyl]amino]benzoic acid.
What is the SMILES notation for 2-[[2-amino-3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-2-yl)propanoyl]amino]benzoic acid?
The canonical SMILES for 2-[[2-amino-3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-2-yl)propanoyl]amino]benzoic acid is NC(Cc1cc2n(n1)-c1ccc(O)cc1CC2)C(=O)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[[2-amino-3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-2-yl)propanoyl]amino]benzoic acid?
The InChIKey is GUWCDBJDNOANAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c22-17(20(27)23-18-4-2-1-3-16(18)21(28)29)11-13-10-14-6-5-12-9-15(26)7-8-19(12)25(14)24-13/h1-4,7-10,17,26H,5-6,11,22H2,(H,23,27)(H,28,29).
What are the key properties of 2-[[2-amino-3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-2-yl)propanoyl]amino]benzoic acid?
2-[[2-amino-3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-2-yl)propanoyl]amino]benzoic acid has a molecular weight of 392.42 g/mol, XLogP of 1.88, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-2-yl)propanoyl]amino]benzoic acid is sourced from PubChem (CID 54585613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).