N-[(4-fluoro-3-methylphenyl)methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide

C20H20FN3O2 — CID 26053992

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
SMILESCc1cc(CNC(=O)CCn2cnc3c(C)cccc3c2=O)ccc1F
InChIInChI=1S/C20H20FN3O2/c1-13-4-3-5-16-19(13)23-12-24(20(16)26)9-8-18(25)22-11-15-6-7-17(21)14(2)10-15/h3-7,10,12H,8-9,11H2,1-2H3,(H,22,25)
InChIKeyPSDBQOUTVDYBOD-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.86
Rot. Bonds5

About N-[(4-fluoro-3-methylphenyl)methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide

N-[(4-fluoro-3-methylphenyl)methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide (PubChem CID 26053992) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
PubChem CID26053992
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
SMILESCc1cc(CNC(=O)CCn2cnc3c(C)cccc3c2=O)ccc1F
InChIInChI=1S/C20H20FN3O2/c1-13-4-3-5-16-19(13)23-12-24(20(16)26)9-8-18(25)22-11-15-6-7-17(21)14(2)10-15/h3-7,10,12H,8-9,11H2,1-2H3,(H,22,25)
InChIKeyPSDBQOUTVDYBOD-UHFFFAOYSA-N
XLogP2.86
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 55662614
N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 34487848
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 42947647
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 46433793
N-(2-fluoro-5-nitrophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 55462318
N-[(2,5-dimethoxyphenyl)methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 33104099
N-[3-[4-(dimethylamino)phenyl]propyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 55619017
4-chloro-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide
CID 27147734
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 34454596
3-(8-methyl-4-oxoquinazolin-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 51272641
3-(2-aminoethyl)-8-methylquinazolin-4-one
CID 82506522
2-methyl-N-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]propanamide
CID 27146491

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide (CID 26053992) is N-[(4-fluoro-3-methylphenyl)methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide is Cc1cc(CNC(=O)CCn2cnc3c(C)cccc3c2=O)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The InChIKey is PSDBQOUTVDYBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-13-4-3-5-16-19(13)23-12-24(20(16)26)9-8-18(25)22-11-15-6-7-17(21)14(2)10-15/h3-7,10,12H,8-9,11H2,1-2H3,(H,22,25).
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
N-[(4-fluoro-3-methylphenyl)methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide has a molecular weight of 353.40 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 26053992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).