N-cyclopropyl-2-[4-[6-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazin-2-yl]piperazin-1-yl]acetamide

C23H28N6O2 — CID 177144444

IUPACN-cyclopropyl-2-[4-[6-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazin-2-yl]piperazin-1-yl]acetamide
SMILESCN1C(=O)CCc2cc(-c3cncc(N4CCN(CC(=O)NC5CC5)CC4)n3)ccc21
InChIInChI=1S/C23H28N6O2/c1-27-20-6-2-16(12-17(20)3-7-23(27)31)19-13-24-14-21(26-19)29-10-8-28(9-11-29)15-22(30)25-18-4-5-18/h2,6,12-14,18H,3-5,7-11,15H2,1H3,(H,25,30)
InChIKeyCRCYKBZWNUHPGD-UHFFFAOYSA-N
MW420.52 g/mol
LogP1.45
Rot. Bonds5

About N-cyclopropyl-2-[4-[6-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazin-2-yl]piperazin-1-yl]acetamide

N-cyclopropyl-2-[4-[6-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazin-2-yl]piperazin-1-yl]acetamide (PubChem CID 177144444) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[6-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazin-2-yl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[6-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazin-2-yl]piperazin-1-yl]acetamide
PubChem CID177144444
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC NameN-cyclopropyl-2-[4-[6-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazin-2-yl]piperazin-1-yl]acetamide
SMILESCN1C(=O)CCc2cc(-c3cncc(N4CCN(CC(=O)NC5CC5)CC4)n3)ccc21
InChIInChI=1S/C23H28N6O2/c1-27-20-6-2-16(12-17(20)3-7-23(27)31)19-13-24-14-21(26-19)29-10-8-28(9-11-29)15-22(30)25-18-4-5-18/h2,6,12-14,18H,3-5,7-11,15H2,1H3,(H,25,30)
InChIKeyCRCYKBZWNUHPGD-UHFFFAOYSA-N
XLogP1.45
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[6-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazin-2-yl]piperazin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[6-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazin-2-yl]piperazin-1-yl]acetamide (CID 177144444) is N-cyclopropyl-2-[4-[6-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazin-2-yl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[6-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazin-2-yl]piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[6-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazin-2-yl]piperazin-1-yl]acetamide is CN1C(=O)CCc2cc(-c3cncc(N4CCN(CC(=O)NC5CC5)CC4)n3)ccc21.
What is the InChIKey of N-cyclopropyl-2-[4-[6-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazin-2-yl]piperazin-1-yl]acetamide?
The InChIKey is CRCYKBZWNUHPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-27-20-6-2-16(12-17(20)3-7-23(27)31)19-13-24-14-21(26-19)29-10-8-28(9-11-29)15-22(30)25-18-4-5-18/h2,6,12-14,18H,3-5,7-11,15H2,1H3,(H,25,30).
What are the key properties of N-cyclopropyl-2-[4-[6-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazin-2-yl]piperazin-1-yl]acetamide?
N-cyclopropyl-2-[4-[6-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazin-2-yl]piperazin-1-yl]acetamide has a molecular weight of 420.52 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[6-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazin-2-yl]piperazin-1-yl]acetamide is sourced from PubChem (CID 177144444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).