3-[1-(5-methylpyrazine-2-carbonyl)-3,4-dihydro-2H-quinolin-3-yl]propanoic acid

C18H19N3O3 — CID 138028704

IUPAC3-[1-(5-methylpyrazine-2-carbonyl)-3,4-dihydro-2H-quinolin-3-yl]propanoic acid
SMILESCc1cnc(C(=O)N2CC(CCC(=O)O)Cc3ccccc32)cn1
InChIInChI=1S/C18H19N3O3/c1-12-9-20-15(10-19-12)18(24)21-11-13(6-7-17(22)23)8-14-4-2-3-5-16(14)21/h2-5,9-10,13H,6-8,11H2,1H3,(H,22,23)
InChIKeyKETZCJNDUGKODO-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.47
Rot. Bonds4

About 3-[1-(5-methylpyrazine-2-carbonyl)-3,4-dihydro-2H-quinolin-3-yl]propanoic acid

3-[1-(5-methylpyrazine-2-carbonyl)-3,4-dihydro-2H-quinolin-3-yl]propanoic acid (PubChem CID 138028704) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-[1-(5-methylpyrazine-2-carbonyl)-3,4-dihydro-2H-quinolin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(5-methylpyrazine-2-carbonyl)-3,4-dihydro-2H-quinolin-3-yl]propanoic acid
PubChem CID138028704
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name3-[1-(5-methylpyrazine-2-carbonyl)-3,4-dihydro-2H-quinolin-3-yl]propanoic acid
SMILESCc1cnc(C(=O)N2CC(CCC(=O)O)Cc3ccccc32)cn1
InChIInChI=1S/C18H19N3O3/c1-12-9-20-15(10-19-12)18(24)21-11-13(6-7-17(22)23)8-14-4-2-3-5-16(14)21/h2-5,9-10,13H,6-8,11H2,1H3,(H,22,23)
InChIKeyKETZCJNDUGKODO-UHFFFAOYSA-N
XLogP2.47
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(1-methyl-6-oxopyridine-2-carbonyl)-3,4-dihydro-2H-quinolin-3-yl]propanoic acid
CID 138028697
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 93240954
3-[1-[3-(1-methylpyrazol-4-yl)propyl]-3,4-dihydro-2H-quinolin-3-yl]propanoic acid
CID 167943243
[5-(aminomethyl)-2-pyridinyl]-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63723229
3-[1-[(1-methyl-5-oxo-4H-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]propanoic acid
CID 138028735
(3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(5-methylpyrazin-2-yl)methanone
CID 71921913
(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(5-methylpyrazin-2-yl)methanone
CID 71860195
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 106753653
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 167937529
1-(3-ethyl-3,4-dihydro-2H-quinolin-1-yl)-3,3-dimethylbutan-1-one
CID 18735430
[5-(methylamino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 107374043
(2S)-2-[(5-methylpyrazine-2-carbonyl)amino]pentanedioic acid
CID 61152011

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-methylpyrazine-2-carbonyl)-3,4-dihydro-2H-quinolin-3-yl]propanoic acid?
The IUPAC name of 3-[1-(5-methylpyrazine-2-carbonyl)-3,4-dihydro-2H-quinolin-3-yl]propanoic acid (CID 138028704) is 3-[1-(5-methylpyrazine-2-carbonyl)-3,4-dihydro-2H-quinolin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(5-methylpyrazine-2-carbonyl)-3,4-dihydro-2H-quinolin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(5-methylpyrazine-2-carbonyl)-3,4-dihydro-2H-quinolin-3-yl]propanoic acid is Cc1cnc(C(=O)N2CC(CCC(=O)O)Cc3ccccc32)cn1.
What is the InChIKey of 3-[1-(5-methylpyrazine-2-carbonyl)-3,4-dihydro-2H-quinolin-3-yl]propanoic acid?
The InChIKey is KETZCJNDUGKODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-12-9-20-15(10-19-12)18(24)21-11-13(6-7-17(22)23)8-14-4-2-3-5-16(14)21/h2-5,9-10,13H,6-8,11H2,1H3,(H,22,23).
What are the key properties of 3-[1-(5-methylpyrazine-2-carbonyl)-3,4-dihydro-2H-quinolin-3-yl]propanoic acid?
3-[1-(5-methylpyrazine-2-carbonyl)-3,4-dihydro-2H-quinolin-3-yl]propanoic acid has a molecular weight of 325.37 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-methylpyrazine-2-carbonyl)-3,4-dihydro-2H-quinolin-3-yl]propanoic acid is sourced from PubChem (CID 138028704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).