N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]quinoxaline-2-carboxamide

C18H19N7O2 — CID 122253252

IUPACN-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]quinoxaline-2-carboxamide
SMILESCOc1nc(CNC(=O)c2cnc3ccccc3n2)nc(N2CCCC2)n1
InChIInChI=1S/C18H19N7O2/c1-27-18-23-15(22-17(24-18)25-8-4-5-9-25)11-20-16(26)14-10-19-12-6-2-3-7-13(12)21-14/h2-3,6-7,10H,4-5,8-9,11H2,1H3,(H,20,26)
InChIKeySPOFLOKLHPKDQM-UHFFFAOYSA-N
MW365.40 g/mol
LogP1.35
Rot. Bonds5

About N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]quinoxaline-2-carboxamide

N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]quinoxaline-2-carboxamide (PubChem CID 122253252) has the molecular formula C18H19N7O2 and a molecular weight of 365.40 g/mol. Its IUPAC name is N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]quinoxaline-2-carboxamide
PubChem CID122253252
Molecular FormulaC18H19N7O2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC NameN-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]quinoxaline-2-carboxamide
SMILESCOc1nc(CNC(=O)c2cnc3ccccc3n2)nc(N2CCCC2)n1
InChIInChI=1S/C18H19N7O2/c1-27-18-23-15(22-17(24-18)25-8-4-5-9-25)11-20-16(26)14-10-19-12-6-2-3-7-13(12)21-14/h2-3,6-7,10H,4-5,8-9,11H2,1H3,(H,20,26)
InChIKeySPOFLOKLHPKDQM-UHFFFAOYSA-N
XLogP1.35
TPSA106.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]quinoxaline-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

4-fluoro-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide
CID 122253401
N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 122253515
N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]furan-2-carboxamide
CID 122253418
N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide
CID 122253100
N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(1-methylindol-3-yl)acetamide
CID 122253292
3-chloro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide
CID 122253118
3-fluoro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide
CID 122253116
5-(furan-2-yl)-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 122253223
N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]furan-3-carboxamide
CID 122253553
5-acetyl-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide
CID 122253584
N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-3-phenylpropanamide
CID 119099625
N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 122253592

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]quinoxaline-2-carboxamide (CID 122253252) is N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]quinoxaline-2-carboxamide is COc1nc(CNC(=O)c2cnc3ccccc3n2)nc(N2CCCC2)n1.
What is the InChIKey of N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]quinoxaline-2-carboxamide?
The InChIKey is SPOFLOKLHPKDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O2/c1-27-18-23-15(22-17(24-18)25-8-4-5-9-25)11-20-16(26)14-10-19-12-6-2-3-7-13(12)21-14/h2-3,6-7,10H,4-5,8-9,11H2,1H3,(H,20,26).
What are the key properties of N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]quinoxaline-2-carboxamide?
N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]quinoxaline-2-carboxamide has a molecular weight of 365.40 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 122253252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).