N-[(2-chloro-4-fluorophenyl)methyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide

C19H17ClFN3O2 — CID 45030864

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
SMILESCCc1nc2ccccc2c(=O)n1CC(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C19H17ClFN3O2/c1-2-17-23-16-6-4-3-5-14(16)19(26)24(17)11-18(25)22-10-12-7-8-13(21)9-15(12)20/h3-9H,2,10-11H2,1H3,(H,22,25)
InChIKeyGOQZFMQYNJZHRV-UHFFFAOYSA-N
MW373.82 g/mol
LogP3.07
Rot. Bonds5

About N-[(2-chloro-4-fluorophenyl)methyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide

N-[(2-chloro-4-fluorophenyl)methyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 45030864) has the molecular formula C19H17ClFN3O2 and a molecular weight of 373.82 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
PubChem CID45030864
Molecular FormulaC19H17ClFN3O2
Molecular Weight373.82 g/mol
Exact Mass373.10
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
SMILESCCc1nc2ccccc2c(=O)n1CC(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C19H17ClFN3O2/c1-2-17-23-16-6-4-3-5-14(16)19(26)24(17)11-18(25)22-10-12-7-8-13(21)9-15(12)20/h3-9H,2,10-11H2,1H3,(H,22,25)
InChIKeyGOQZFMQYNJZHRV-UHFFFAOYSA-N
XLogP3.07
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.82
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chloro-4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 46860877
N-butyl-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 45030782
N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 55899331
2-(2-ethyl-4-oxoquinazolin-3-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 45030818
N-[(2-chlorophenyl)methyl]-3-(3-ethyl-4-oxoquinazolin-2-yl)propanamide
CID 53159171
1-(2-ethyl-4-oxoquinazolin-3-yl)-3-[(4-fluorophenyl)methyl]urea
CID 70838560
N-(4-acetylphenyl)-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 859989
2-ethyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 45030837
2-(3,5-difluorophenyl)-N-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 70838580
2-(2-ethyl-4-oxoquinazolin-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 45030855
N-[4-(dimethylamino)phenyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 45030780
2-(2-ethyl-4-oxoquinazolin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 51981540

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide (CID 45030864) is N-[(2-chloro-4-fluorophenyl)methyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide is CCc1nc2ccccc2c(=O)n1CC(=O)NCc1ccc(F)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is GOQZFMQYNJZHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O2/c1-2-17-23-16-6-4-3-5-14(16)19(26)24(17)11-18(25)22-10-12-7-8-13(21)9-15(12)20/h3-9H,2,10-11H2,1H3,(H,22,25).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide?
N-[(2-chloro-4-fluorophenyl)methyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 373.82 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 45030864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).