2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide

C18H16ClN3O3 — CID 7587587

IUPAC2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)Cn2cnc3ccc(Cl)cc3c2=O)cc1
InChIInChI=1S/C18H16ClN3O3/c1-25-14-5-2-12(3-6-14)9-20-17(23)10-22-11-21-16-7-4-13(19)8-15(16)18(22)24/h2-8,11H,9-10H2,1H3,(H,20,23)
InChIKeyAOZUBMRUCPCHOO-UHFFFAOYSA-N
MW357.80 g/mol
LogP2.37
Rot. Bonds5

About 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide

2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 7587587) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID7587587
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC Name2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)Cn2cnc3ccc(Cl)cc3c2=O)cc1
InChIInChI=1S/C18H16ClN3O3/c1-25-14-5-2-12(3-6-14)9-20-17(23)10-22-11-21-16-7-4-13(19)8-15(16)18(22)24/h2-8,11H,9-10H2,1H3,(H,20,23)
InChIKeyAOZUBMRUCPCHOO-UHFFFAOYSA-N
XLogP2.37
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 8536635
2-(6-chloro-4-oxoquinolin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 100734852
1-[(4-methoxyphenyl)methyl]-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]thiourea
CID 9479013
2-[3-[(4-chlorophenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 51047492
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide
CID 7488456
N-(4-chloro-2-methylphenyl)-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
CID 3475689
N-[(4-methoxyphenyl)methyl]-2-(2-methylsulfanyl-5-oxopyrimido[4,5-d]pyrimidin-6-yl)acetamide
CID 46290325
N-[[(2R)-butan-2-yl]carbamoyl]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
CID 8536831
2-hydroxy-N-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]acetamide
CID 25158966
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 7587615
N-benzyl-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 7886509
6-chloro-3-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]quinazolin-4-one
CID 8506237

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide (CID 7587587) is 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)Cn2cnc3ccc(Cl)cc3c2=O)cc1.
What is the InChIKey of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is AOZUBMRUCPCHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-25-14-5-2-12(3-6-14)9-20-17(23)10-22-11-21-16-7-4-13(19)8-15(16)18(22)24/h2-8,11H,9-10H2,1H3,(H,20,23).
What are the key properties of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 357.80 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 7587587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).