3-(3-ethyl-6-methyl-4-oxoquinazolin-2-yl)-N-[(3-fluorophenyl)methyl]propanamide

C21H22FN3O2 — CID 53159187

IUPAC3-(3-ethyl-6-methyl-4-oxoquinazolin-2-yl)-N-[(3-fluorophenyl)methyl]propanamide
SMILESCCn1c(CCC(=O)NCc2cccc(F)c2)nc2ccc(C)cc2c1=O
InChIInChI=1S/C21H22FN3O2/c1-3-25-19(24-18-8-7-14(2)11-17(18)21(25)27)9-10-20(26)23-13-15-5-4-6-16(22)12-15/h4-8,11-12H,3,9-10,13H2,1-2H3,(H,23,26)
InChIKeyJFVCXFVBMSCKSW-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.11
Rot. Bonds6

About 3-(3-ethyl-6-methyl-4-oxoquinazolin-2-yl)-N-[(3-fluorophenyl)methyl]propanamide

3-(3-ethyl-6-methyl-4-oxoquinazolin-2-yl)-N-[(3-fluorophenyl)methyl]propanamide (PubChem CID 53159187) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is 3-(3-ethyl-6-methyl-4-oxoquinazolin-2-yl)-N-[(3-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-ethyl-6-methyl-4-oxoquinazolin-2-yl)-N-[(3-fluorophenyl)methyl]propanamide
PubChem CID53159187
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name3-(3-ethyl-6-methyl-4-oxoquinazolin-2-yl)-N-[(3-fluorophenyl)methyl]propanamide
SMILESCCn1c(CCC(=O)NCc2cccc(F)c2)nc2ccc(C)cc2c1=O
InChIInChI=1S/C21H22FN3O2/c1-3-25-19(24-18-8-7-14(2)11-17(18)21(25)27)9-10-20(26)23-13-15-5-4-6-16(22)12-15/h4-8,11-12H,3,9-10,13H2,1-2H3,(H,23,26)
InChIKeyJFVCXFVBMSCKSW-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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Related Compounds

3-(3-ethyl-4-oxoquinazolin-2-yl)-N-[(4-methylphenyl)methyl]propanamide
CID 53159170
N-[(3-fluorophenyl)methyl]-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 122445601
N-[(2-chlorophenyl)methyl]-3-(3-ethyl-4-oxoquinazolin-2-yl)propanamide
CID 53159171
N-[(3-fluorophenyl)methyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324640
N-[(3-fluorophenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137292595
4-[(3-fluorophenyl)methylamino]-4-oxobutanoic acid
CID 43529773
3-[(3-fluorophenyl)methyl]-6-nitro-2-propylquinazolin-4-one
CID 1174029
N-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]-2-(3-fluorophenyl)acetamide
CID 53143754
2-(3-fluorophenyl)-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]acetamide
CID 110712309
3-(3-fluorophenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110414954
3-(3-fluorophenyl)-N-[(6-methylpyridazin-3-yl)methyl]propanamide
CID 110737950
N-[(3-fluorophenyl)methyl]-3-(4-methyl-2,3-dioxoquinoxalin-1-yl)propanamide
CID 50815571

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-6-methyl-4-oxoquinazolin-2-yl)-N-[(3-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-(3-ethyl-6-methyl-4-oxoquinazolin-2-yl)-N-[(3-fluorophenyl)methyl]propanamide (CID 53159187) is 3-(3-ethyl-6-methyl-4-oxoquinazolin-2-yl)-N-[(3-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-(3-ethyl-6-methyl-4-oxoquinazolin-2-yl)-N-[(3-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-(3-ethyl-6-methyl-4-oxoquinazolin-2-yl)-N-[(3-fluorophenyl)methyl]propanamide is CCn1c(CCC(=O)NCc2cccc(F)c2)nc2ccc(C)cc2c1=O.
What is the InChIKey of 3-(3-ethyl-6-methyl-4-oxoquinazolin-2-yl)-N-[(3-fluorophenyl)methyl]propanamide?
The InChIKey is JFVCXFVBMSCKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-3-25-19(24-18-8-7-14(2)11-17(18)21(25)27)9-10-20(26)23-13-15-5-4-6-16(22)12-15/h4-8,11-12H,3,9-10,13H2,1-2H3,(H,23,26).
What are the key properties of 3-(3-ethyl-6-methyl-4-oxoquinazolin-2-yl)-N-[(3-fluorophenyl)methyl]propanamide?
3-(3-ethyl-6-methyl-4-oxoquinazolin-2-yl)-N-[(3-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-6-methyl-4-oxoquinazolin-2-yl)-N-[(3-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 53159187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).