1-(6-amino-3-quinolin-6-ylpyrazin-2-yl)pyrrolidin-2-one

C17H15N5O — CID 137423656

IUPAC1-(6-amino-3-quinolin-6-ylpyrazin-2-yl)pyrrolidin-2-one
SMILESNc1cnc(-c2ccc3ncccc3c2)c(N2CCCC2=O)n1
InChIInChI=1S/C17H15N5O/c18-14-10-20-16(17(21-14)22-8-2-4-15(22)23)12-5-6-13-11(9-12)3-1-7-19-13/h1,3,5-7,9-10H,2,4,8H2,(H2,18,21)
InChIKeyRQNBLBTZNORZSU-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.40
Rot. Bonds2

About 1-(6-amino-3-quinolin-6-ylpyrazin-2-yl)pyrrolidin-2-one

1-(6-amino-3-quinolin-6-ylpyrazin-2-yl)pyrrolidin-2-one (PubChem CID 137423656) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 1-(6-amino-3-quinolin-6-ylpyrazin-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(6-amino-3-quinolin-6-ylpyrazin-2-yl)pyrrolidin-2-one
PubChem CID137423656
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name1-(6-amino-3-quinolin-6-ylpyrazin-2-yl)pyrrolidin-2-one
SMILESNc1cnc(-c2ccc3ncccc3c2)c(N2CCCC2=O)n1
InChIInChI=1S/C17H15N5O/c18-14-10-20-16(17(21-14)22-8-2-4-15(22)23)12-5-6-13-11(9-12)3-1-7-19-13/h1,3,5-7,9-10H,2,4,8H2,(H2,18,21)
InChIKeyRQNBLBTZNORZSU-UHFFFAOYSA-N
XLogP2.40
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-3-quinolin-6-ylpyrazin-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-(6-amino-3-quinolin-6-ylpyrazin-2-yl)pyrrolidin-2-one (CID 137423656) is 1-(6-amino-3-quinolin-6-ylpyrazin-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(6-amino-3-quinolin-6-ylpyrazin-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(6-amino-3-quinolin-6-ylpyrazin-2-yl)pyrrolidin-2-one is Nc1cnc(-c2ccc3ncccc3c2)c(N2CCCC2=O)n1.
What is the InChIKey of 1-(6-amino-3-quinolin-6-ylpyrazin-2-yl)pyrrolidin-2-one?
The InChIKey is RQNBLBTZNORZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c18-14-10-20-16(17(21-14)22-8-2-4-15(22)23)12-5-6-13-11(9-12)3-1-7-19-13/h1,3,5-7,9-10H,2,4,8H2,(H2,18,21).
What are the key properties of 1-(6-amino-3-quinolin-6-ylpyrazin-2-yl)pyrrolidin-2-one?
1-(6-amino-3-quinolin-6-ylpyrazin-2-yl)pyrrolidin-2-one has a molecular weight of 305.34 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-3-quinolin-6-ylpyrazin-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 137423656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).