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

C19H18FN3O2 — CID 110712309

IUPAC2-(3-fluorophenyl)-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]acetamide
SMILESCn1c(CCNC(=O)Cc2cccc(F)c2)nc2ccccc2c1=O
InChIInChI=1S/C19H18FN3O2/c1-23-17(22-16-8-3-2-7-15(16)19(23)25)9-10-21-18(24)12-13-5-4-6-14(20)11-13/h2-8,11H,9-10,12H2,1H3,(H,21,24)
InChIKeyCMEHLWACSOVYLA-UHFFFAOYSA-N
MW339.37 g/mol
LogP1.97
Rot. Bonds5

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

2-(3-fluorophenyl)-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]acetamide (PubChem CID 110712309) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]acetamide
PubChem CID110712309
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name2-(3-fluorophenyl)-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]acetamide
SMILESCn1c(CCNC(=O)Cc2cccc(F)c2)nc2ccccc2c1=O
InChIInChI=1S/C19H18FN3O2/c1-23-17(22-16-8-3-2-7-15(16)19(23)25)9-10-21-18(24)12-13-5-4-6-14(20)11-13/h2-8,11H,9-10,12H2,1H3,(H,21,24)
InChIKeyCMEHLWACSOVYLA-UHFFFAOYSA-N
XLogP1.97
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide
CID 9080818
3,3-dimethyl-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]butanamide
CID 110712301
3-(3-fluorophenyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 110711966
N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide
CID 110712288
3-methoxy-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 110712281
N-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]-2-(3-fluorophenyl)acetamide
CID 53143754
N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110741916
N-[2-(3-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 29292801
3,4-difluoro-N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]benzamide
CID 110352040
2-(3-fluorophenyl)-N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]acetamide
CID 110707094
N-(2-ethyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(3-fluorophenyl)acetamide
CID 70838611
4-ethyl-N'-[3-(3-methyl-4-oxoquinazolin-2-yl)propanoyl]benzohydrazide
CID 9088102

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]acetamide (CID 110712309) is 2-(3-fluorophenyl)-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]acetamide is Cn1c(CCNC(=O)Cc2cccc(F)c2)nc2ccccc2c1=O.
What is the InChIKey of 2-(3-fluorophenyl)-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]acetamide?
The InChIKey is CMEHLWACSOVYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-23-17(22-16-8-3-2-7-15(16)19(23)25)9-10-21-18(24)12-13-5-4-6-14(20)11-13/h2-8,11H,9-10,12H2,1H3,(H,21,24).
What are the key properties of 2-(3-fluorophenyl)-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]acetamide?
2-(3-fluorophenyl)-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]acetamide has a molecular weight of 339.37 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]acetamide is sourced from PubChem (CID 110712309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).