N-(2-ethoxypyrimidin-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide

C16H15N5O3 — CID 122302050

IUPACN-(2-ethoxypyrimidin-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCCOc1ncc(NC(=O)Cn2cnc3ccccc3c2=O)cn1
InChIInChI=1S/C16H15N5O3/c1-2-24-16-17-7-11(8-18-16)20-14(22)9-21-10-19-13-6-4-3-5-12(13)15(21)23/h3-8,10H,2,9H2,1H3,(H,20,22)
InChIKeyFPTNSUMXMJJNRR-UHFFFAOYSA-N
MW325.33 g/mol
LogP1.22
Rot. Bonds5

About N-(2-ethoxypyrimidin-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide

N-(2-ethoxypyrimidin-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 122302050) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is N-(2-ethoxypyrimidin-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-ethoxypyrimidin-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID122302050
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC NameN-(2-ethoxypyrimidin-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCCOc1ncc(NC(=O)Cn2cnc3ccccc3c2=O)cn1
InChIInChI=1S/C16H15N5O3/c1-2-24-16-17-7-11(8-18-16)20-14(22)9-21-10-19-13-6-4-3-5-12(13)15(21)23/h3-8,10H,2,9H2,1H3,(H,20,22)
InChIKeyFPTNSUMXMJJNRR-UHFFFAOYSA-N
XLogP1.22
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 122356084
2-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 7741631
N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 988636
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2904511
3-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide
CID 33026865
N-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 852114
2-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
CID 42119047
ethyl (E)-3-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]prop-2-enoate
CID 24569687
N,N-diethyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]benzamide
CID 27892984
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 31908062
2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 5048859
N-(4,6-dimethylpyrimidin-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 155294773

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxypyrimidin-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(2-ethoxypyrimidin-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide (CID 122302050) is N-(2-ethoxypyrimidin-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(2-ethoxypyrimidin-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(2-ethoxypyrimidin-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide is CCOc1ncc(NC(=O)Cn2cnc3ccccc3c2=O)cn1.
What is the InChIKey of N-(2-ethoxypyrimidin-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is FPTNSUMXMJJNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3/c1-2-24-16-17-7-11(8-18-16)20-14(22)9-21-10-19-13-6-4-3-5-12(13)15(21)23/h3-8,10H,2,9H2,1H3,(H,20,22).
What are the key properties of N-(2-ethoxypyrimidin-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
N-(2-ethoxypyrimidin-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 325.33 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxypyrimidin-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 122302050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).