N-(4-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide

C17H15N3O3 — CID 670909

IUPACN-(4-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C17H15N3O3/c1-23-13-8-6-12(7-9-13)19-16(21)10-20-11-18-15-5-3-2-4-14(15)17(20)22/h2-9,11H,10H2,1H3,(H,19,21)
InChIKeySMRMBQLYQMAXFZ-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.04
Rot. Bonds4

About N-(4-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide

N-(4-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 670909) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID670909
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC NameN-(4-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C17H15N3O3/c1-23-13-8-6-12(7-9-13)19-16(21)10-20-11-18-15-5-3-2-4-14(15)17(20)22/h2-9,11H,10H2,1H3,(H,19,21)
InChIKeySMRMBQLYQMAXFZ-UHFFFAOYSA-N
XLogP2.04
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide (CID 670909) is N-(4-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide is COc1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is SMRMBQLYQMAXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-23-13-8-6-12(7-9-13)19-16(21)10-20-11-18-15-5-3-2-4-14(15)17(20)22/h2-9,11H,10H2,1H3,(H,19,21).
What are the key properties of N-(4-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
N-(4-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 309.33 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 670909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).