N-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide

C18H17N3O2 — CID 852114

IUPACN-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1C
InChIInChI=1S/C18H17N3O2/c1-12-7-8-14(9-13(12)2)20-17(22)10-21-11-19-16-6-4-3-5-15(16)18(21)23/h3-9,11H,10H2,1-2H3,(H,20,22)
InChIKeyOQRBCYNXDNHDPA-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.65
Rot. Bonds3

About N-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide

N-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 852114) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID852114
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1C
InChIInChI=1S/C18H17N3O2/c1-12-7-8-14(9-13(12)2)20-17(22)10-21-11-19-16-6-4-3-5-15(16)18(21)23/h3-9,11H,10H2,1-2H3,(H,20,22)
InChIKeyOQRBCYNXDNHDPA-UHFFFAOYSA-N
XLogP2.65
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 4785568
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2904511
2-methyl-N-[4-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
CID 55708476
N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 988636
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
3-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide
CID 33026865
2-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
CID 42119047
N-(5-chloro-2-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 853101
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 714396
N-(1,3-benzothiazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 131938230
N-(4,6-dimethylpyrimidin-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 155294773

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide (CID 852114) is N-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide is Cc1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is OQRBCYNXDNHDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12-7-8-14(9-13(12)2)20-17(22)10-21-11-19-16-6-4-3-5-15(16)18(21)23/h3-9,11H,10H2,1-2H3,(H,20,22).
What are the key properties of N-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
N-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 307.35 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 852114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).