1'-[2-(methylamino)pyrimidine-5-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one

C18H20N6O2 — CID 70710366

IUPAC1'-[2-(methylamino)pyrimidine-5-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESCNc1ncc(C(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)cn1
InChIInChI=1S/C18H20N6O2/c1-19-17-20-10-12(11-21-17)15(25)24-8-6-18(7-9-24)16(26)22-13-4-2-3-5-14(13)23-18/h2-5,10-11,23H,6-9H2,1H3,(H,22,26)(H,19,20,21)
InChIKeyBQGMSTFBVNSODI-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.56
Rot. Bonds2

About 1'-[2-(methylamino)pyrimidine-5-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one

1'-[2-(methylamino)pyrimidine-5-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (PubChem CID 70710366) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 1'-[2-(methylamino)pyrimidine-5-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[2-(methylamino)pyrimidine-5-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
PubChem CID70710366
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name1'-[2-(methylamino)pyrimidine-5-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESCNc1ncc(C(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)cn1
InChIInChI=1S/C18H20N6O2/c1-19-17-20-10-12(11-21-17)15(25)24-8-6-18(7-9-24)16(26)22-13-4-2-3-5-14(13)23-18/h2-5,10-11,23H,6-9H2,1H3,(H,22,26)(H,19,20,21)
InChIKeyBQGMSTFBVNSODI-UHFFFAOYSA-N
XLogP1.56
TPSA99.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1'-[2-(methylamino)pyrimidine-5-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1'-[2-(methylamino)pyrimidine-5-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[2-(methylamino)pyrimidine-5-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (CID 70710366) is 1'-[2-(methylamino)pyrimidine-5-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[2-(methylamino)pyrimidine-5-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[2-(methylamino)pyrimidine-5-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is CNc1ncc(C(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)cn1.
What is the InChIKey of 1'-[2-(methylamino)pyrimidine-5-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The InChIKey is BQGMSTFBVNSODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-19-17-20-10-12(11-21-17)15(25)24-8-6-18(7-9-24)16(26)22-13-4-2-3-5-14(13)23-18/h2-5,10-11,23H,6-9H2,1H3,(H,22,26)(H,19,20,21).
What are the key properties of 1'-[2-(methylamino)pyrimidine-5-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
1'-[2-(methylamino)pyrimidine-5-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one has a molecular weight of 352.40 g/mol, XLogP of 1.56, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(methylamino)pyrimidine-5-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is sourced from PubChem (CID 70710366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).