1-[6-amino-3-(8-chloroquinolin-6-yl)-5-(4,4-dimethyl-2-oxopyrrolidin-1-yl)pyrazin-2-yl]pyridin-2-one

C24H21ClN6O2 — CID 137430715

IUPAC1-[6-amino-3-(8-chloroquinolin-6-yl)-5-(4,4-dimethyl-2-oxopyrrolidin-1-yl)pyrazin-2-yl]pyridin-2-one
SMILESCC1(C)CC(=O)N(c2nc(-c3cc(Cl)c4ncccc4c3)c(-n3ccccc3=O)nc2N)C1
InChIInChI=1S/C24H21ClN6O2/c1-24(2)12-18(33)31(13-24)23-21(26)29-22(30-9-4-3-7-17(30)32)20(28-23)15-10-14-6-5-8-27-19(14)16(25)11-15/h3-11H,12-13H2,1-2H3,(H2,26,29)
InChIKeyMEWALBQUAHMLII-UHFFFAOYSA-N
MW460.93 g/mol
LogP3.84
Rot. Bonds3

About 1-[6-amino-3-(8-chloroquinolin-6-yl)-5-(4,4-dimethyl-2-oxopyrrolidin-1-yl)pyrazin-2-yl]pyridin-2-one

1-[6-amino-3-(8-chloroquinolin-6-yl)-5-(4,4-dimethyl-2-oxopyrrolidin-1-yl)pyrazin-2-yl]pyridin-2-one (PubChem CID 137430715) has the molecular formula C24H21ClN6O2 and a molecular weight of 460.93 g/mol. Its IUPAC name is 1-[6-amino-3-(8-chloroquinolin-6-yl)-5-(4,4-dimethyl-2-oxopyrrolidin-1-yl)pyrazin-2-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[6-amino-3-(8-chloroquinolin-6-yl)-5-(4,4-dimethyl-2-oxopyrrolidin-1-yl)pyrazin-2-yl]pyridin-2-one
PubChem CID137430715
Molecular FormulaC24H21ClN6O2
Molecular Weight460.93 g/mol
Exact Mass460.14
IUPAC Name1-[6-amino-3-(8-chloroquinolin-6-yl)-5-(4,4-dimethyl-2-oxopyrrolidin-1-yl)pyrazin-2-yl]pyridin-2-one
SMILESCC1(C)CC(=O)N(c2nc(-c3cc(Cl)c4ncccc4c3)c(-n3ccccc3=O)nc2N)C1
InChIInChI=1S/C24H21ClN6O2/c1-24(2)12-18(33)31(13-24)23-21(26)29-22(30-9-4-3-7-17(30)32)20(28-23)15-10-14-6-5-8-27-19(14)16(25)11-15/h3-11H,12-13H2,1-2H3,(H2,26,29)
InChIKeyMEWALBQUAHMLII-UHFFFAOYSA-N
XLogP3.84
TPSA107.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.93
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6-amino-3-(8-chloroquinolin-6-yl)-5-(4,4-dimethyl-2-oxopyrrolidin-1-yl)pyrazin-2-yl]pyridin-2-one?
The IUPAC name of 1-[6-amino-3-(8-chloroquinolin-6-yl)-5-(4,4-dimethyl-2-oxopyrrolidin-1-yl)pyrazin-2-yl]pyridin-2-one (CID 137430715) is 1-[6-amino-3-(8-chloroquinolin-6-yl)-5-(4,4-dimethyl-2-oxopyrrolidin-1-yl)pyrazin-2-yl]pyridin-2-one.
What is the SMILES notation for 1-[6-amino-3-(8-chloroquinolin-6-yl)-5-(4,4-dimethyl-2-oxopyrrolidin-1-yl)pyrazin-2-yl]pyridin-2-one?
The canonical SMILES for 1-[6-amino-3-(8-chloroquinolin-6-yl)-5-(4,4-dimethyl-2-oxopyrrolidin-1-yl)pyrazin-2-yl]pyridin-2-one is CC1(C)CC(=O)N(c2nc(-c3cc(Cl)c4ncccc4c3)c(-n3ccccc3=O)nc2N)C1.
What is the InChIKey of 1-[6-amino-3-(8-chloroquinolin-6-yl)-5-(4,4-dimethyl-2-oxopyrrolidin-1-yl)pyrazin-2-yl]pyridin-2-one?
The InChIKey is MEWALBQUAHMLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN6O2/c1-24(2)12-18(33)31(13-24)23-21(26)29-22(30-9-4-3-7-17(30)32)20(28-23)15-10-14-6-5-8-27-19(14)16(25)11-15/h3-11H,12-13H2,1-2H3,(H2,26,29).
What are the key properties of 1-[6-amino-3-(8-chloroquinolin-6-yl)-5-(4,4-dimethyl-2-oxopyrrolidin-1-yl)pyrazin-2-yl]pyridin-2-one?
1-[6-amino-3-(8-chloroquinolin-6-yl)-5-(4,4-dimethyl-2-oxopyrrolidin-1-yl)pyrazin-2-yl]pyridin-2-one has a molecular weight of 460.93 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-amino-3-(8-chloroquinolin-6-yl)-5-(4,4-dimethyl-2-oxopyrrolidin-1-yl)pyrazin-2-yl]pyridin-2-one is sourced from PubChem (CID 137430715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).