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

C20H20FN3O2 — CID 9080818

IUPACN-[2-(4-fluorophenyl)ethyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide
SMILESCn1c(CCC(=O)NCCc2ccc(F)cc2)nc2ccccc2c1=O
InChIInChI=1S/C20H20FN3O2/c1-24-18(23-17-5-3-2-4-16(17)20(24)26)10-11-19(25)22-13-12-14-6-8-15(21)9-7-14/h2-9H,10-13H2,1H3,(H,22,25)
InChIKeyORVTZQKCCSXWID-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.36
Rot. Bonds6

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

N-[2-(4-fluorophenyl)ethyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide (PubChem CID 9080818) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide
PubChem CID9080818
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide
SMILESCn1c(CCC(=O)NCCc2ccc(F)cc2)nc2ccccc2c1=O
InChIInChI=1S/C20H20FN3O2/c1-24-18(23-17-5-3-2-4-16(17)20(24)26)10-11-19(25)22-13-12-14-6-8-15(21)9-7-14/h2-9H,10-13H2,1H3,(H,22,25)
InChIKeyORVTZQKCCSXWID-UHFFFAOYSA-N
XLogP2.36
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenyl)-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]acetamide
CID 110712309
[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 46627202
N-[2-(4-methoxyphenoxy)ethyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide
CID 8935859
3,3-dimethyl-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]butanamide
CID 110712301
N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide
CID 110712288
4-ethyl-N'-[3-(3-methyl-4-oxoquinazolin-2-yl)propanoyl]benzohydrazide
CID 9088102
[2-(3-methylbutylamino)-2-oxoethyl] 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 30933282
N-[2-(4-hydroxyphenyl)ethyl]-3-methyl-4-oxoquinazoline-2-carboxamide
CID 45490612
N-[2-(4-methoxyphenyl)ethyl]-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 35772302
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoate
CID 38860823
3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 34368790
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide (CID 9080818) is N-[2-(4-fluorophenyl)ethyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide is Cn1c(CCC(=O)NCCc2ccc(F)cc2)nc2ccccc2c1=O.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide?
The InChIKey is ORVTZQKCCSXWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-24-18(23-17-5-3-2-4-16(17)20(24)26)10-11-19(25)22-13-12-14-6-8-15(21)9-7-14/h2-9H,10-13H2,1H3,(H,22,25).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide?
N-[2-(4-fluorophenyl)ethyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide has a molecular weight of 353.40 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide is sourced from PubChem (CID 9080818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).