N-[2-(2-methyl-4-oxoquinazolin-3-yl)pyrimidin-5-yl]-2-(3,4,5-trimethoxyphenyl)acetamide

C24H23N5O5 — CID 171649510

IUPACN-[2-(2-methyl-4-oxoquinazolin-3-yl)pyrimidin-5-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)Nc2cnc(-n3c(C)nc4ccccc4c3=O)nc2)cc(OC)c1OC
InChIInChI=1S/C24H23N5O5/c1-14-27-18-8-6-5-7-17(18)23(31)29(14)24-25-12-16(13-26-24)28-21(30)11-15-9-19(32-2)22(34-4)20(10-15)33-3/h5-10,12-13H,11H2,1-4H3,(H,28,30)
InChIKeyVGPSITPKDWDPJY-UHFFFAOYSA-N
MW461.48 g/mol
LogP2.69
Rot. Bonds7

About N-[2-(2-methyl-4-oxoquinazolin-3-yl)pyrimidin-5-yl]-2-(3,4,5-trimethoxyphenyl)acetamide

N-[2-(2-methyl-4-oxoquinazolin-3-yl)pyrimidin-5-yl]-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 171649510) has the molecular formula C24H23N5O5 and a molecular weight of 461.48 g/mol. Its IUPAC name is N-[2-(2-methyl-4-oxoquinazolin-3-yl)pyrimidin-5-yl]-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(2-methyl-4-oxoquinazolin-3-yl)pyrimidin-5-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID171649510
Molecular FormulaC24H23N5O5
Molecular Weight461.48 g/mol
Exact Mass461.17
IUPAC NameN-[2-(2-methyl-4-oxoquinazolin-3-yl)pyrimidin-5-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)Nc2cnc(-n3c(C)nc4ccccc4c3=O)nc2)cc(OC)c1OC
InChIInChI=1S/C24H23N5O5/c1-14-27-18-8-6-5-7-17(18)23(31)29(14)24-25-12-16(13-26-24)28-21(30)11-15-9-19(32-2)22(34-4)20(10-15)33-3/h5-10,12-13H,11H2,1-4H3,(H,28,30)
InChIKeyVGPSITPKDWDPJY-UHFFFAOYSA-N
XLogP2.69
TPSA117.46 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.48
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 171649492
N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylacetamide
CID 18576711
3,4,5-trimethoxy-N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 43988488
N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-(3-methylphenyl)acetamide
CID 7294959
2-(4-methoxy-3-methylphenyl)-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]acetamide
CID 122301385
2-(4-chlorophenyl)-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide
CID 7294904
N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenoxyacetamide
CID 43988539
N-(2-anilino-2-oxoethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 55836388
2-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 7741631
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26465780
3-(4-methoxyphenyl)-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide
CID 7577823
N-(2-methoxyphenyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 860126

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-4-oxoquinazolin-3-yl)pyrimidin-5-yl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-[2-(2-methyl-4-oxoquinazolin-3-yl)pyrimidin-5-yl]-2-(3,4,5-trimethoxyphenyl)acetamide (CID 171649510) is N-[2-(2-methyl-4-oxoquinazolin-3-yl)pyrimidin-5-yl]-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(2-methyl-4-oxoquinazolin-3-yl)pyrimidin-5-yl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-[2-(2-methyl-4-oxoquinazolin-3-yl)pyrimidin-5-yl]-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(CC(=O)Nc2cnc(-n3c(C)nc4ccccc4c3=O)nc2)cc(OC)c1OC.
What is the InChIKey of N-[2-(2-methyl-4-oxoquinazolin-3-yl)pyrimidin-5-yl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is VGPSITPKDWDPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O5/c1-14-27-18-8-6-5-7-17(18)23(31)29(14)24-25-12-16(13-26-24)28-21(30)11-15-9-19(32-2)22(34-4)20(10-15)33-3/h5-10,12-13H,11H2,1-4H3,(H,28,30).
What are the key properties of N-[2-(2-methyl-4-oxoquinazolin-3-yl)pyrimidin-5-yl]-2-(3,4,5-trimethoxyphenyl)acetamide?
N-[2-(2-methyl-4-oxoquinazolin-3-yl)pyrimidin-5-yl]-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 461.48 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-4-oxoquinazolin-3-yl)pyrimidin-5-yl]-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 171649510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).