4-[3-(dimethylamino)propylamino]pyrazolo[1,5-a]quinoxaline-3-carboxylic acid

C16H19N5O2 — CID 21426004

IUPAC4-[3-(dimethylamino)propylamino]pyrazolo[1,5-a]quinoxaline-3-carboxylic acid
SMILESCN(C)CCCNc1nc2ccccc2n2ncc(C(=O)O)c12
InChIInChI=1S/C16H19N5O2/c1-20(2)9-5-8-17-15-14-11(16(22)23)10-18-21(14)13-7-4-3-6-12(13)19-15/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,17,19)(H,22,23)
InChIKeyRSRJHGAOJGFJMS-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.94
Rot. Bonds6

About 4-[3-(dimethylamino)propylamino]pyrazolo[1,5-a]quinoxaline-3-carboxylic acid

4-[3-(dimethylamino)propylamino]pyrazolo[1,5-a]quinoxaline-3-carboxylic acid (PubChem CID 21426004) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propylamino]pyrazolo[1,5-a]quinoxaline-3-carboxylic acid.

Molecular Properties

Compound Name4-[3-(dimethylamino)propylamino]pyrazolo[1,5-a]quinoxaline-3-carboxylic acid
PubChem CID21426004
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name4-[3-(dimethylamino)propylamino]pyrazolo[1,5-a]quinoxaline-3-carboxylic acid
SMILESCN(C)CCCNc1nc2ccccc2n2ncc(C(=O)O)c12
InChIInChI=1S/C16H19N5O2/c1-20(2)9-5-8-17-15-14-11(16(22)23)10-18-21(14)13-7-4-3-6-12(13)19-15/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,17,19)(H,22,23)
InChIKeyRSRJHGAOJGFJMS-UHFFFAOYSA-N
XLogP1.94
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(dimethylamino)propylamino]-3H-pyrrolo[2,3-c]quinoline-1-carboxylic acid
CID 170672708
1-[3-(dimethylamino)propylamino]isoquinoline-4-carboxylic acid
CID 106766513
4-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]quinoxaline-3-carboxylic acid
CID 21426002
N',N'-dimethyl-N-(3-phenylquinoxalin-2-yl)propane-1,3-diamine
CID 18549017
2-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79876689
4-[4-(dimethylamino)butylamino]quinazoline-5-carboxylic acid;hydrochloride
CID 20982537
2-cyclopropyl-1-[4-[4-[3-(dimethylamino)propylamino]imidazo[1,2-a]quinoxalin-1-yl]phenyl]ethanone
CID 147534440
2-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 29033562
2-[3-(2-hydroxyethoxy)propylamino]quinoline-3-carboxylic acid
CID 106307515
[4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]piperazin-1-yl]-(oxolan-3-yl)methanone
CID 58808885
1-[4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]piperazin-1-yl]-2-phenylsulfanylethanone
CID 15985034
N-(4-chlorophenyl)-4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]piperazine-1-carboxamide
CID 58809146

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propylamino]pyrazolo[1,5-a]quinoxaline-3-carboxylic acid?
The IUPAC name of 4-[3-(dimethylamino)propylamino]pyrazolo[1,5-a]quinoxaline-3-carboxylic acid (CID 21426004) is 4-[3-(dimethylamino)propylamino]pyrazolo[1,5-a]quinoxaline-3-carboxylic acid.
What is the SMILES notation for 4-[3-(dimethylamino)propylamino]pyrazolo[1,5-a]quinoxaline-3-carboxylic acid?
The canonical SMILES for 4-[3-(dimethylamino)propylamino]pyrazolo[1,5-a]quinoxaline-3-carboxylic acid is CN(C)CCCNc1nc2ccccc2n2ncc(C(=O)O)c12.
What is the InChIKey of 4-[3-(dimethylamino)propylamino]pyrazolo[1,5-a]quinoxaline-3-carboxylic acid?
The InChIKey is RSRJHGAOJGFJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-20(2)9-5-8-17-15-14-11(16(22)23)10-18-21(14)13-7-4-3-6-12(13)19-15/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,17,19)(H,22,23).
What are the key properties of 4-[3-(dimethylamino)propylamino]pyrazolo[1,5-a]quinoxaline-3-carboxylic acid?
4-[3-(dimethylamino)propylamino]pyrazolo[1,5-a]quinoxaline-3-carboxylic acid has a molecular weight of 313.36 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propylamino]pyrazolo[1,5-a]quinoxaline-3-carboxylic acid is sourced from PubChem (CID 21426004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).