2-[2-oxo-3-(2-quinolin-6-ylethylamino)pyrazin-1-yl]acetic acid

C17H16N4O3 — CID 167803874

IUPAC2-[2-oxo-3-(2-quinolin-6-ylethylamino)pyrazin-1-yl]acetic acid
SMILESO=C(O)Cn1ccnc(NCCc2ccc3ncccc3c2)c1=O
InChIInChI=1S/C17H16N4O3/c22-15(23)11-21-9-8-20-16(17(21)24)19-7-5-12-3-4-14-13(10-12)2-1-6-18-14/h1-4,6,8-10H,5,7,11H2,(H,19,20)(H,22,23)
InChIKeyMKTIVLKQGUGPPG-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.53
Rot. Bonds6

About 2-[2-oxo-3-(2-quinolin-6-ylethylamino)pyrazin-1-yl]acetic acid

2-[2-oxo-3-(2-quinolin-6-ylethylamino)pyrazin-1-yl]acetic acid (PubChem CID 167803874) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-[2-oxo-3-(2-quinolin-6-ylethylamino)pyrazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-3-(2-quinolin-6-ylethylamino)pyrazin-1-yl]acetic acid
PubChem CID167803874
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name2-[2-oxo-3-(2-quinolin-6-ylethylamino)pyrazin-1-yl]acetic acid
SMILESO=C(O)Cn1ccnc(NCCc2ccc3ncccc3c2)c1=O
InChIInChI=1S/C17H16N4O3/c22-15(23)11-21-9-8-20-16(17(21)24)19-7-5-12-3-4-14-13(10-12)2-1-6-18-14/h1-4,6,8-10H,5,7,11H2,(H,19,20)(H,22,23)
InChIKeyMKTIVLKQGUGPPG-UHFFFAOYSA-N
XLogP1.53
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methylpropyl)-3-(2-phenylethylamino)pyrazin-2-one
CID 62938964
2-methyl-N-(2-quinolin-6-ylethyl)propan-2-amine
CID 62549001
1-(2-hydroxyethyl)-3-(2-pyridin-3-ylethylamino)pyrazin-2-one
CID 23072658
2-[2-oxo-3-(2-spiro[3.3]heptan-2-ylethylamino)pyrazin-1-yl]acetic acid
CID 166356949
2-[3-[(1,7-dimethylbenzimidazol-2-yl)methylamino]-2-oxopyrazin-1-yl]acetic acid
CID 167932709
2-[tert-butyl(quinolin-6-ylmethyl)amino]acetic acid
CID 79268844
4-amino-N-(2-quinolin-6-ylethyl)bicyclo[2.2.2]octane-1-carboxamide
CID 167842749
methyl 4-quinolin-6-ylbutanoate
CID 116997352
4-(2-quinolin-6-ylethyl)piperazine-1-carboxylic acid
CID 118666820
6-(2-bromoethyl)quinoline
CID 68811984
6-(2-chloroethyl)quinoline
CID 53404433
1-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-oxo-N-(quinolin-6-ylmethyl)pyridine-3-carboxamide
CID 92635136

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-3-(2-quinolin-6-ylethylamino)pyrazin-1-yl]acetic acid?
The IUPAC name of 2-[2-oxo-3-(2-quinolin-6-ylethylamino)pyrazin-1-yl]acetic acid (CID 167803874) is 2-[2-oxo-3-(2-quinolin-6-ylethylamino)pyrazin-1-yl]acetic acid.
What is the SMILES notation for 2-[2-oxo-3-(2-quinolin-6-ylethylamino)pyrazin-1-yl]acetic acid?
The canonical SMILES for 2-[2-oxo-3-(2-quinolin-6-ylethylamino)pyrazin-1-yl]acetic acid is O=C(O)Cn1ccnc(NCCc2ccc3ncccc3c2)c1=O.
What is the InChIKey of 2-[2-oxo-3-(2-quinolin-6-ylethylamino)pyrazin-1-yl]acetic acid?
The InChIKey is MKTIVLKQGUGPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c22-15(23)11-21-9-8-20-16(17(21)24)19-7-5-12-3-4-14-13(10-12)2-1-6-18-14/h1-4,6,8-10H,5,7,11H2,(H,19,20)(H,22,23).
What are the key properties of 2-[2-oxo-3-(2-quinolin-6-ylethylamino)pyrazin-1-yl]acetic acid?
2-[2-oxo-3-(2-quinolin-6-ylethylamino)pyrazin-1-yl]acetic acid has a molecular weight of 324.34 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-3-(2-quinolin-6-ylethylamino)pyrazin-1-yl]acetic acid is sourced from PubChem (CID 167803874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).