N-(4-bromo-2-methylphenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide

C18H16BrN3O2 — CID 51264976

IUPACN-(4-bromo-2-methylphenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1cc(Br)ccc1NC(=O)Cn1cnc2c(C)cccc2c1=O
InChIInChI=1S/C18H16BrN3O2/c1-11-4-3-5-14-17(11)20-10-22(18(14)24)9-16(23)21-15-7-6-13(19)8-12(15)2/h3-8,10H,9H2,1-2H3,(H,21,23)
InChIKeyKKQMTBDDSGBGFV-UHFFFAOYSA-N
MW386.25 g/mol
LogP3.41
Rot. Bonds3

About N-(4-bromo-2-methylphenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide

N-(4-bromo-2-methylphenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 51264976) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
PubChem CID51264976
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC NameN-(4-bromo-2-methylphenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1cc(Br)ccc1NC(=O)Cn1cnc2c(C)cccc2c1=O
InChIInChI=1S/C18H16BrN3O2/c1-11-4-3-5-14-17(11)20-10-22(18(14)24)9-16(23)21-15-7-6-13(19)8-12(15)2/h3-8,10H,9H2,1-2H3,(H,21,23)
InChIKeyKKQMTBDDSGBGFV-UHFFFAOYSA-N
XLogP3.41
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 51265002
N-(5-methyl-1,2-oxazol-3-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27161523
N-(2-methoxyphenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 17397655
2-(8-methyl-4-oxoquinazolin-3-yl)-N-quinolin-8-ylacetamide
CID 17443977
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(4-methyl-2-pyridinyl)acetamide
CID 35030582
N-(5-acetamido-2-chlorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55916729
N-(3,4-dichlorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27873306
N-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide
CID 87026199
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-chloro-2-methylphenyl)acetamide
CID 7275237
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-propoxyphenyl)acetamide
CID 27895346
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-phenylsulfanylphenyl)acetamide
CID 24655621
methyl 4-chloro-3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzoate
CID 31838386

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide (CID 51264976) is N-(4-bromo-2-methylphenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide is Cc1cc(Br)ccc1NC(=O)Cn1cnc2c(C)cccc2c1=O.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is KKQMTBDDSGBGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c1-11-4-3-5-14-17(11)20-10-22(18(14)24)9-16(23)21-15-7-6-13(19)8-12(15)2/h3-8,10H,9H2,1-2H3,(H,21,23).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
N-(4-bromo-2-methylphenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 386.25 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 51264976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).