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

C17H15N3O2 — CID 2904511

IUPACN-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCc1cccc(NC(=O)Cn2cnc3ccccc3c2=O)c1
InChIInChI=1S/C17H15N3O2/c1-12-5-4-6-13(9-12)19-16(21)10-20-11-18-15-8-3-2-7-14(15)17(20)22/h2-9,11H,10H2,1H3,(H,19,21)
InChIKeyDVCMGYBVNAHWTH-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.34
Rot. Bonds3

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

N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 2904511) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID2904511
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCc1cccc(NC(=O)Cn2cnc3ccccc3c2=O)c1
InChIInChI=1S/C17H15N3O2/c1-12-5-4-6-13(9-12)19-16(21)10-20-11-18-15-8-3-2-7-14(15)17(20)22/h2-9,11H,10H2,1H3,(H,19,21)
InChIKeyDVCMGYBVNAHWTH-UHFFFAOYSA-N
XLogP2.34
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 852114
N-[4-(3-methylphenoxy)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 7758722
N,N-diethyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]benzamide
CID 27892984
N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 988636
N-(3-chlorophenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide
CID 4126183
N-(2-chloro-4-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874794
N-(1,3-benzothiazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 131938230
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylphenyl)acetamide
CID 22423881
N-(4,6-dimethylpyrimidin-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 155294773
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 3533504
N-(2-methyl-1,3-benzoxazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 26682960
2-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 7741631

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide (CID 2904511) is N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide is Cc1cccc(NC(=O)Cn2cnc3ccccc3c2=O)c1.
What is the InChIKey of N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is DVCMGYBVNAHWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-12-5-4-6-13(9-12)19-16(21)10-20-11-18-15-8-3-2-7-14(15)17(20)22/h2-9,11H,10H2,1H3,(H,19,21).
What are the key properties of N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 293.33 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 2904511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).