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

C18H17N3O4 — CID 712182

IUPACN-(3,4-dimethoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1OC
InChIInChI=1S/C18H17N3O4/c1-24-15-8-7-12(9-16(15)25-2)20-17(22)10-21-11-19-14-6-4-3-5-13(14)18(21)23/h3-9,11H,10H2,1-2H3,(H,20,22)
InChIKeyYZFDEHSZNMNBJB-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.05
Rot. Bonds5

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

N-(3,4-dimethoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 712182) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID712182
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1OC
InChIInChI=1S/C18H17N3O4/c1-24-15-8-7-12(9-16(15)25-2)20-17(22)10-21-11-19-14-6-4-3-5-13(14)18(21)23/h3-9,11H,10H2,1-2H3,(H,20,22)
InChIKeyYZFDEHSZNMNBJB-UHFFFAOYSA-N
XLogP2.05
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-Methoxy-2-nitro-phenyl)-3H-quinazolin-4-one
CID 686133
7-Benzyloxy-6-methoxy-3H-quinazolin-4-one
CID 135404718
Quinolone-based HDAC inhibitor 4t
CID 131953878
2-[6,7-Dimethoxy-2,4-dioxo-3-(2-phenylethyl)-1,2,3,4-tetrahydroquinazolin-1-YL]-N-phenylacetamide
CID 15989492
N~1~-(2,5-dimethoxyphenyl)-N~2~-[(4-oxoquinazolin-3(4H)-yl)acetyl]glycinamide
CID 3237928
N~1~-(2-methoxybenzyl)-N~3~-[(4-oxoquinazolin-3(4H)-yl)acetyl]-beta-alaninamide
CID 3245794
N-(2-Methoxy-5-methylphenyl)-3-[2-(4-oxo-3,4-dihydroquinazolin-3-YL)acetamido]propanamide
CID 15994104
3-[3-Methoxy-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-7-phenyl-3H-quinazolin-4-one
CID 16046114
3-[3-Methoxy-4-(2-pyrrolidin-1-yl-ethoxy)phenyl]-7-phenoxy-3H-quinazolin-4-one
CID 17989373
3-[3-Methoxy-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-6-phenoxy-3H-quinazolin-4-one
CID 17989383
6,7-Dimethoxy-3-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-one
CID 118722443
6,7-Dimethoxy-3-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinazolin-4-one
CID 118722446

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide (CID 712182) is N-(3,4-dimethoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide is COc1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is YZFDEHSZNMNBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-24-15-8-7-12(9-16(15)25-2)20-17(22)10-21-11-19-14-6-4-3-5-13(14)18(21)23/h3-9,11H,10H2,1-2H3,(H,20,22).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
N-(3,4-dimethoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 339.35 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 712182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).