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

C19H18FN3O2 — CID 51271973

IUPACN-[(2-fluorophenyl)methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCN(Cc1ccccc1F)C(=O)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C19H18FN3O2/c1-22(12-14-6-2-4-8-16(14)20)18(24)10-11-23-13-21-17-9-5-3-7-15(17)19(23)25/h2-9,13H,10-12H2,1H3
InChIKeyZNACCTVTBILLDR-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.58
Rot. Bonds5

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

N-[(2-fluorophenyl)methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 51271973) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID51271973
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC NameN-[(2-fluorophenyl)methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCN(Cc1ccccc1F)C(=O)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C19H18FN3O2/c1-22(12-14-6-2-4-8-16(14)20)18(24)10-11-23-13-21-17-9-5-3-7-15(17)19(23)25/h2-9,13H,10-12H2,1H3
InChIKeyZNACCTVTBILLDR-UHFFFAOYSA-N
XLogP2.58
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 51272205
N-methyl-N-(2-methylpropyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 134058897
4-[methyl-[3-(4-oxoquinazolin-3-yl)propanoyl]amino]butanoic acid
CID 119137206
N-methyl-3-(4-oxoquinazolin-3-yl)-N-phenylpropanamide
CID 25298269
N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 43035945
N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 126788538
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 86817821
3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 43045414
N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 75489122
N-methyl-N-[(4-methylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 4809022
N-[(2,4-difluorophenyl)methyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 38227876
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 55767150

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide (CID 51271973) is N-[(2-fluorophenyl)methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide is CN(Cc1ccccc1F)C(=O)CCn1cnc2ccccc2c1=O.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is ZNACCTVTBILLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-22(12-14-6-2-4-8-16(14)20)18(24)10-11-23-13-21-17-9-5-3-7-15(17)19(23)25/h2-9,13H,10-12H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide?
N-[(2-fluorophenyl)methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 339.37 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 51271973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).