5-(5,6,7,8-tetrahydroquinolin-2-ylmethylamino)pyrazine-2-carboxylic acid

C15H16N4O2 — CID 122056848

IUPAC5-(5,6,7,8-tetrahydroquinolin-2-ylmethylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NCc2ccc3c(n2)CCCC3)cn1
InChIInChI=1S/C15H16N4O2/c20-15(21)13-8-18-14(9-16-13)17-7-11-6-5-10-3-1-2-4-12(10)19-11/h5-6,8-9H,1-4,7H2,(H,17,18)(H,20,21)
InChIKeyJIVRQEYWASMMKM-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.06
Rot. Bonds4

About 5-(5,6,7,8-tetrahydroquinolin-2-ylmethylamino)pyrazine-2-carboxylic acid

5-(5,6,7,8-tetrahydroquinolin-2-ylmethylamino)pyrazine-2-carboxylic acid (PubChem CID 122056848) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-(5,6,7,8-tetrahydroquinolin-2-ylmethylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(5,6,7,8-tetrahydroquinolin-2-ylmethylamino)pyrazine-2-carboxylic acid
PubChem CID122056848
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name5-(5,6,7,8-tetrahydroquinolin-2-ylmethylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NCc2ccc3c(n2)CCCC3)cn1
InChIInChI=1S/C15H16N4O2/c20-15(21)13-8-18-14(9-16-13)17-7-11-6-5-10-3-1-2-4-12(10)19-11/h5-6,8-9H,1-4,7H2,(H,17,18)(H,20,21)
InChIKeyJIVRQEYWASMMKM-UHFFFAOYSA-N
XLogP2.06
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(5,6,7,8-tetrahydroquinolin-2-ylmethylamino)pyrazine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(6-morpholin-4-yl-2-pyridinyl)methylamino]pyrazine-2-carboxylic acid
CID 122055053
5-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methylamino]pyrazine-2-carboxylic acid
CID 122054676
5-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid
CID 166258137
4-[(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylamino)methyl]benzoic acid
CID 122035144
5-[2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethylamino]pyrazine-2-carboxylic acid
CID 166302096
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylmethyl)ethanamine
CID 130164614
2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylamino)acetic acid
CID 83830034
5-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylic acid
CID 115455525
5-[[(2S)-oxolan-2-yl]methylamino]pyrazine-2-carboxylic acid
CID 166243247
5-[(2-cyclopentyloxyphenyl)methylamino]pyrazine-2-carboxylic acid
CID 122053135
5-[(1-methoxycarbonylcyclohexyl)methylamino]pyrazine-2-carboxylic acid
CID 122054843
5-[[1-(dimethylamino)cyclopentyl]methylamino]pyrazine-2-carboxylic acid
CID 83117218

Frequently Asked Questions

What is the IUPAC name of 5-(5,6,7,8-tetrahydroquinolin-2-ylmethylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(5,6,7,8-tetrahydroquinolin-2-ylmethylamino)pyrazine-2-carboxylic acid (CID 122056848) is 5-(5,6,7,8-tetrahydroquinolin-2-ylmethylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(5,6,7,8-tetrahydroquinolin-2-ylmethylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(5,6,7,8-tetrahydroquinolin-2-ylmethylamino)pyrazine-2-carboxylic acid is O=C(O)c1cnc(NCc2ccc3c(n2)CCCC3)cn1.
What is the InChIKey of 5-(5,6,7,8-tetrahydroquinolin-2-ylmethylamino)pyrazine-2-carboxylic acid?
The InChIKey is JIVRQEYWASMMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c20-15(21)13-8-18-14(9-16-13)17-7-11-6-5-10-3-1-2-4-12(10)19-11/h5-6,8-9H,1-4,7H2,(H,17,18)(H,20,21).
What are the key properties of 5-(5,6,7,8-tetrahydroquinolin-2-ylmethylamino)pyrazine-2-carboxylic acid?
5-(5,6,7,8-tetrahydroquinolin-2-ylmethylamino)pyrazine-2-carboxylic acid has a molecular weight of 284.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6,7,8-tetrahydroquinolin-2-ylmethylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 122056848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).