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

C20H20FN3O2 — CID 24535110

IUPACN-ethyl-N-(4-fluorophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
SMILESCCN(C(=O)CCn1cnc2c(C)cccc2c1=O)c1ccc(F)cc1
InChIInChI=1S/C20H20FN3O2/c1-3-24(16-9-7-15(21)8-10-16)18(25)11-12-23-13-22-19-14(2)5-4-6-17(19)20(23)26/h4-10,13H,3,11-12H2,1-2H3
InChIKeyMEXHKLZTBYMZGD-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.29
Rot. Bonds5

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

N-ethyl-N-(4-fluorophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide (PubChem CID 24535110) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-ethyl-N-(4-fluorophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-N-(4-fluorophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
PubChem CID24535110
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC NameN-ethyl-N-(4-fluorophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
SMILESCCN(C(=O)CCn1cnc2c(C)cccc2c1=O)c1ccc(F)cc1
InChIInChI=1S/C20H20FN3O2/c1-3-24(16-9-7-15(21)8-10-16)18(25)11-12-23-13-22-19-14(2)5-4-6-17(19)20(23)26/h4-10,13H,3,11-12H2,1-2H3
InChIKeyMEXHKLZTBYMZGD-UHFFFAOYSA-N
XLogP3.29
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)propanamide
CID 46550537
N-[(4-fluorophenyl)methyl]-N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 46474620
N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 51273270
N-ethyl-N-(4-fluorophenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 43040078
N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 43035945
2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl-propylamino]acetic acid
CID 119204774
N-benzyl-N-ethyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 27147978
4-[methyl-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]amino]butanoic acid
CID 119137222
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 52663067
N-[1-(4-fluorophenyl)ethyl]-N-methyl-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
CID 18121933
N-benzyl-N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 26004666
3-(2-fluoroethyl)-8-methylquinazolin-4-one
CID 71007475

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-fluorophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-ethyl-N-(4-fluorophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide (CID 24535110) is N-ethyl-N-(4-fluorophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-ethyl-N-(4-fluorophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-ethyl-N-(4-fluorophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide is CCN(C(=O)CCn1cnc2c(C)cccc2c1=O)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-N-(4-fluorophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The InChIKey is MEXHKLZTBYMZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-3-24(16-9-7-15(21)8-10-16)18(25)11-12-23-13-22-19-14(2)5-4-6-17(19)20(23)26/h4-10,13H,3,11-12H2,1-2H3.
What are the key properties of N-ethyl-N-(4-fluorophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
N-ethyl-N-(4-fluorophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide has a molecular weight of 353.40 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-fluorophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 24535110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).