N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide

C20H23N7O3 — CID 122253592

IUPACN-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCOc1nc(CNC(=O)Cn2cnc3ccccc3c2=O)nc(N2CCCCC2)n1
InChIInChI=1S/C20H23N7O3/c1-30-20-24-16(23-19(25-20)26-9-5-2-6-10-26)11-21-17(28)12-27-13-22-15-8-4-3-7-14(15)18(27)29/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,21,28)
InChIKeySZHQCOTZULSQLH-UHFFFAOYSA-N
MW409.45 g/mol
LogP0.90
Rot. Bonds6

About N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide

N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 122253592) has the molecular formula C20H23N7O3 and a molecular weight of 409.45 g/mol. Its IUPAC name is N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID122253592
Molecular FormulaC20H23N7O3
Molecular Weight409.45 g/mol
Exact Mass409.19
IUPAC NameN-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCOc1nc(CNC(=O)Cn2cnc3ccccc3c2=O)nc(N2CCCCC2)n1
InChIInChI=1S/C20H23N7O3/c1-30-20-24-16(23-19(25-20)26-9-5-2-6-10-26)11-21-17(28)12-27-13-22-15-8-4-3-7-14(15)18(27)29/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,21,28)
InChIKeySZHQCOTZULSQLH-UHFFFAOYSA-N
XLogP0.90
TPSA115.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide with MolForge

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Related Compounds

2-(4-oxoquinazolin-3-yl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122353191
N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 122254609
N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 122253596
2-(benzimidazol-1-yl)-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]acetamide
CID 121137385
N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-pyrimidin-2-yloxyacetamide
CID 122253435
N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-3-phenylpropanamide
CID 119099625
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 121137899
N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]quinoxaline-2-carboxamide
CID 122253252
N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(1-methylindol-3-yl)acetamide
CID 122253292
2-(4-oxoquinazolin-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8969226
2-(1,2-benzoxazol-3-yl)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide
CID 122253589
N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 122294459

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide (CID 122253592) is N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide is COc1nc(CNC(=O)Cn2cnc3ccccc3c2=O)nc(N2CCCCC2)n1.
What is the InChIKey of N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is SZHQCOTZULSQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O3/c1-30-20-24-16(23-19(25-20)26-9-5-2-6-10-26)11-21-17(28)12-27-13-22-15-8-4-3-7-14(15)18(27)29/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,21,28).
What are the key properties of N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide?
N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 409.45 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 122253592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).