3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazine-2-carboxamide

C18H18N6O2 — CID 121351019

IUPAC3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazine-2-carboxamide
SMILESCc1nc(C(=O)NC2CCCc3cccnc32)c(N)nc1-c1ncco1
InChIInChI=1S/C18H18N6O2/c1-10-13(18-21-8-9-26-18)24-16(19)15(22-10)17(25)23-12-6-2-4-11-5-3-7-20-14(11)12/h3,5,7-9,12H,2,4,6H2,1H3,(H2,19,24)(H,23,25)
InChIKeyISVZJEKBYKQANO-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.22
Rot. Bonds3

About 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazine-2-carboxamide

3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazine-2-carboxamide (PubChem CID 121351019) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazine-2-carboxamide
PubChem CID121351019
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazine-2-carboxamide
SMILESCc1nc(C(=O)NC2CCCc3cccnc32)c(N)nc1-c1ncco1
InChIInChI=1S/C18H18N6O2/c1-10-13(18-21-8-9-26-18)24-16(19)15(22-10)17(25)23-12-6-2-4-11-5-3-7-20-14(11)12/h3,5,7-9,12H,2,4,6H2,1H3,(H2,19,24)(H,23,25)
InChIKeyISVZJEKBYKQANO-UHFFFAOYSA-N
XLogP2.22
TPSA119.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazine-2-carboxamide (CID 121351019) is 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazine-2-carboxamide is Cc1nc(C(=O)NC2CCCc3cccnc32)c(N)nc1-c1ncco1.
What is the InChIKey of 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazine-2-carboxamide?
The InChIKey is ISVZJEKBYKQANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-10-13(18-21-8-9-26-18)24-16(19)15(22-10)17(25)23-12-6-2-4-11-5-3-7-20-14(11)12/h3,5,7-9,12H,2,4,6H2,1H3,(H2,19,24)(H,23,25).
What are the key properties of 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazine-2-carboxamide?
3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazine-2-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 121351019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).