N-(5-chloro-2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide

C17H13ClFN3O2 — CID 51265002

IUPACN-(5-chloro-2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1cccc2c(=O)n(CC(=O)Nc3cc(Cl)ccc3F)cnc12
InChIInChI=1S/C17H13ClFN3O2/c1-10-3-2-4-12-16(10)20-9-22(17(12)24)8-15(23)21-14-7-11(18)5-6-13(14)19/h2-7,9H,8H2,1H3,(H,21,23)
InChIKeyWQAQIFZNLBGBLY-UHFFFAOYSA-N
MW345.76 g/mol
LogP3.14
Rot. Bonds3

About N-(5-chloro-2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide

N-(5-chloro-2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 51265002) has the molecular formula C17H13ClFN3O2 and a molecular weight of 345.76 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
PubChem CID51265002
Molecular FormulaC17H13ClFN3O2
Molecular Weight345.76 g/mol
Exact Mass345.07
IUPAC NameN-(5-chloro-2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1cccc2c(=O)n(CC(=O)Nc3cc(Cl)ccc3F)cnc12
InChIInChI=1S/C17H13ClFN3O2/c1-10-3-2-4-12-16(10)20-9-22(17(12)24)8-15(23)21-14-7-11(18)5-6-13(14)19/h2-7,9H,8H2,1H3,(H,21,23)
InChIKeyWQAQIFZNLBGBLY-UHFFFAOYSA-N
XLogP3.14
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.76
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27873306
N-(5-acetamido-2-chlorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55916729
N'-(2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetohydrazide
CID 150829256
N-(4-bromo-2-methylphenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 51264976
methyl 4-chloro-3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzoate
CID 31838386
N-(5-chloro-2-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 853101
N-(5-methyl-1,2-oxazol-3-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27161523
N-[4-fluoro-2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]pyridine-2-carboxamide
CID 60560086
2-(8-methyl-4-oxoquinazolin-3-yl)-N-quinolin-8-ylacetamide
CID 17443977
N-(2-methoxyphenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 17397655
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(4-methyl-2-pyridinyl)acetamide
CID 35030582
N-(2-fluoro-5-nitrophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 55462318

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide (CID 51265002) is N-(5-chloro-2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide is Cc1cccc2c(=O)n(CC(=O)Nc3cc(Cl)ccc3F)cnc12.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is WQAQIFZNLBGBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O2/c1-10-3-2-4-12-16(10)20-9-22(17(12)24)8-15(23)21-14-7-11(18)5-6-13(14)19/h2-7,9H,8H2,1H3,(H,21,23).
What are the key properties of N-(5-chloro-2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
N-(5-chloro-2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 345.76 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 51265002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).