4-[(7-methyl-1H-pyrazolo[5,4-f]quinolin-9-yl)amino]benzoic acid

C18H14N4O2 — CID 22417966

IUPAC4-[(7-methyl-1H-pyrazolo[5,4-f]quinolin-9-yl)amino]benzoic acid
SMILESCc1cc(Nc2ccc(C(=O)O)cc2)c2c(ccc3cn[nH]c32)n1
InChIInChI=1S/C18H14N4O2/c1-10-8-15(21-13-5-2-11(3-6-13)18(23)24)16-14(20-10)7-4-12-9-19-22-17(12)16/h2-9H,1H3,(H,19,22)(H,20,21)(H,23,24)
InChIKeyZGYLVURUTXCXHB-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.86
Rot. Bonds3

About 4-[(7-methyl-1H-pyrazolo[5,4-f]quinolin-9-yl)amino]benzoic acid

4-[(7-methyl-1H-pyrazolo[5,4-f]quinolin-9-yl)amino]benzoic acid (PubChem CID 22417966) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 4-[(7-methyl-1H-pyrazolo[5,4-f]quinolin-9-yl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(7-methyl-1H-pyrazolo[5,4-f]quinolin-9-yl)amino]benzoic acid
PubChem CID22417966
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name4-[(7-methyl-1H-pyrazolo[5,4-f]quinolin-9-yl)amino]benzoic acid
SMILESCc1cc(Nc2ccc(C(=O)O)cc2)c2c(ccc3cn[nH]c32)n1
InChIInChI=1S/C18H14N4O2/c1-10-8-15(21-13-5-2-11(3-6-13)18(23)24)16-14(20-10)7-4-12-9-19-22-17(12)16/h2-9H,1H3,(H,19,22)(H,20,21)(H,23,24)
InChIKeyZGYLVURUTXCXHB-UHFFFAOYSA-N
XLogP3.86
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2E)-2-(1H-indol-3-ylmethylene)hydrazino]benzoic acid
CID 135603851
4-[(2E)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoic acid
CID 9631515
Niraparib metabolite M1
CID 118737587
4-[(3-amino-1H-pyrazolo[4,5-c]quinolin-4-yl)amino]benzoic acid
CID 124093768
(E)-4-(2-(quinolin-6-ylmethylene)hydrazinyl)benzoic acid
CID 9633858
4-[(2E)-2-(quinolin-8-ylmethylidene)hydrazinyl]benzoic acid
CID 9658829
6-acetamido-4-(1H-indazol-4-ylamino)-1H-indole-2-carboxylic acid
CID 162666670
4-((3-Azido-9-acridinyl)amino)benzoic acid
CID 3036536
5-methyl-4-(quinolin-2-ylmethyl)-1H-pyrazole-3-carboxylic acid
CID 71460738
4-[8-(7-methyl-1H-indazole-5-carbonyl)-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzoic acid
CID 145986022
3-[2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-indazol-3-yl]ethynyl]benzoic acid
CID 175335071
4-[N-(3-(4-Pyridyl)-1H-Indazol-5-Yl)Carbamoyl]Benzoic Acid
CID 22479866

Frequently Asked Questions

What is the IUPAC name of 4-[(7-methyl-1H-pyrazolo[5,4-f]quinolin-9-yl)amino]benzoic acid?
The IUPAC name of 4-[(7-methyl-1H-pyrazolo[5,4-f]quinolin-9-yl)amino]benzoic acid (CID 22417966) is 4-[(7-methyl-1H-pyrazolo[5,4-f]quinolin-9-yl)amino]benzoic acid.
What is the SMILES notation for 4-[(7-methyl-1H-pyrazolo[5,4-f]quinolin-9-yl)amino]benzoic acid?
The canonical SMILES for 4-[(7-methyl-1H-pyrazolo[5,4-f]quinolin-9-yl)amino]benzoic acid is Cc1cc(Nc2ccc(C(=O)O)cc2)c2c(ccc3cn[nH]c32)n1.
What is the InChIKey of 4-[(7-methyl-1H-pyrazolo[5,4-f]quinolin-9-yl)amino]benzoic acid?
The InChIKey is ZGYLVURUTXCXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c1-10-8-15(21-13-5-2-11(3-6-13)18(23)24)16-14(20-10)7-4-12-9-19-22-17(12)16/h2-9H,1H3,(H,19,22)(H,20,21)(H,23,24).
What are the key properties of 4-[(7-methyl-1H-pyrazolo[5,4-f]quinolin-9-yl)amino]benzoic acid?
4-[(7-methyl-1H-pyrazolo[5,4-f]quinolin-9-yl)amino]benzoic acid has a molecular weight of 318.34 g/mol, XLogP of 3.86, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-methyl-1H-pyrazolo[5,4-f]quinolin-9-yl)amino]benzoic acid is sourced from PubChem (CID 22417966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).