3-(3-ethyl-8-methyl-4-oxoquinazolin-2-yl)-N-[(4-fluorophenyl)methyl]propanamide

C21H22FN3O2 — CID 53159178

IUPAC3-(3-ethyl-8-methyl-4-oxoquinazolin-2-yl)-N-[(4-fluorophenyl)methyl]propanamide
SMILESCCn1c(CCC(=O)NCc2ccc(F)cc2)nc2c(C)cccc2c1=O
InChIInChI=1S/C21H22FN3O2/c1-3-25-18(24-20-14(2)5-4-6-17(20)21(25)27)11-12-19(26)23-13-15-7-9-16(22)10-8-15/h4-10H,3,11-13H2,1-2H3,(H,23,26)
InChIKeyJZWWKXYICIYVLJ-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.11
Rot. Bonds6

About 3-(3-ethyl-8-methyl-4-oxoquinazolin-2-yl)-N-[(4-fluorophenyl)methyl]propanamide

3-(3-ethyl-8-methyl-4-oxoquinazolin-2-yl)-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 53159178) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is 3-(3-ethyl-8-methyl-4-oxoquinazolin-2-yl)-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-ethyl-8-methyl-4-oxoquinazolin-2-yl)-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID53159178
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name3-(3-ethyl-8-methyl-4-oxoquinazolin-2-yl)-N-[(4-fluorophenyl)methyl]propanamide
SMILESCCn1c(CCC(=O)NCc2ccc(F)cc2)nc2c(C)cccc2c1=O
InChIInChI=1S/C21H22FN3O2/c1-3-25-18(24-20-14(2)5-4-6-17(20)21(25)27)11-12-19(26)23-13-15-7-9-16(22)10-8-15/h4-10H,3,11-13H2,1-2H3,(H,23,26)
InChIKeyJZWWKXYICIYVLJ-UHFFFAOYSA-N
XLogP3.11
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-8-methyl-4-oxoquinazolin-2-yl)-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-(3-ethyl-8-methyl-4-oxoquinazolin-2-yl)-N-[(4-fluorophenyl)methyl]propanamide (CID 53159178) is 3-(3-ethyl-8-methyl-4-oxoquinazolin-2-yl)-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-(3-ethyl-8-methyl-4-oxoquinazolin-2-yl)-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-(3-ethyl-8-methyl-4-oxoquinazolin-2-yl)-N-[(4-fluorophenyl)methyl]propanamide is CCn1c(CCC(=O)NCc2ccc(F)cc2)nc2c(C)cccc2c1=O.
What is the InChIKey of 3-(3-ethyl-8-methyl-4-oxoquinazolin-2-yl)-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is JZWWKXYICIYVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-3-25-18(24-20-14(2)5-4-6-17(20)21(25)27)11-12-19(26)23-13-15-7-9-16(22)10-8-15/h4-10H,3,11-13H2,1-2H3,(H,23,26).
What are the key properties of 3-(3-ethyl-8-methyl-4-oxoquinazolin-2-yl)-N-[(4-fluorophenyl)methyl]propanamide?
3-(3-ethyl-8-methyl-4-oxoquinazolin-2-yl)-N-[(4-fluorophenyl)methyl]propanamide has a molecular weight of 367.42 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-8-methyl-4-oxoquinazolin-2-yl)-N-[(4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 53159178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).