2-(4-oxoquinazolin-3-yl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide

C20H22N6O2 — CID 122353191

IUPAC2-(4-oxoquinazolin-3-yl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)NCc1ccnc(N2CCCCC2)n1
InChIInChI=1S/C20H22N6O2/c27-18(13-26-14-23-17-7-3-2-6-16(17)19(26)28)22-12-15-8-9-21-20(24-15)25-10-4-1-5-11-25/h2-3,6-9,14H,1,4-5,10-13H2,(H,22,27)
InChIKeyIHBWUBAEUOCOGD-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.49
Rot. Bonds5

About 2-(4-oxoquinazolin-3-yl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide

2-(4-oxoquinazolin-3-yl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide (PubChem CID 122353191) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 2-(4-oxoquinazolin-3-yl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-oxoquinazolin-3-yl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide
PubChem CID122353191
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name2-(4-oxoquinazolin-3-yl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)NCc1ccnc(N2CCCCC2)n1
InChIInChI=1S/C20H22N6O2/c27-18(13-26-14-23-17-7-3-2-6-16(17)19(26)28)22-12-15-8-9-21-20(24-15)25-10-4-1-5-11-25/h2-3,6-9,14H,1,4-5,10-13H2,(H,22,27)
InChIKeyIHBWUBAEUOCOGD-UHFFFAOYSA-N
XLogP1.49
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-oxoquinazolin-3-yl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide with MolForge

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Related Compounds

N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 122253592
2-naphthalen-1-yl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122353105
2-(4-oxoquinazolin-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8969226
2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide
CID 122353478
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 122320008
N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 122294459
N-[(4-oxoquinazolin-3-yl)methyl]-2-piperidin-1-ylacetamide;trihydrochloride
CID 3053772
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9403212
3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
CID 4908291
N-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 4815745
3-(4-oxoquinazolin-3-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 36758177
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 122356666

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxoquinazolin-3-yl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide?
The IUPAC name of 2-(4-oxoquinazolin-3-yl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide (CID 122353191) is 2-(4-oxoquinazolin-3-yl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-oxoquinazolin-3-yl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide?
The canonical SMILES for 2-(4-oxoquinazolin-3-yl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide is O=C(Cn1cnc2ccccc2c1=O)NCc1ccnc(N2CCCCC2)n1.
What is the InChIKey of 2-(4-oxoquinazolin-3-yl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide?
The InChIKey is IHBWUBAEUOCOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c27-18(13-26-14-23-17-7-3-2-6-16(17)19(26)28)22-12-15-8-9-21-20(24-15)25-10-4-1-5-11-25/h2-3,6-9,14H,1,4-5,10-13H2,(H,22,27).
What are the key properties of 2-(4-oxoquinazolin-3-yl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide?
2-(4-oxoquinazolin-3-yl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide has a molecular weight of 378.44 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxoquinazolin-3-yl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide is sourced from PubChem (CID 122353191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).