N-[1-(4-fluorophenyl)-2-methylpropyl]-3-(2-methyl-4-oxoquinazolin-3-yl)propanamide

C22H24FN3O2 — CID 46969306

IUPACN-[1-(4-fluorophenyl)-2-methylpropyl]-3-(2-methyl-4-oxoquinazolin-3-yl)propanamide
SMILESCc1nc2ccccc2c(=O)n1CCC(=O)NC(c1ccc(F)cc1)C(C)C
InChIInChI=1S/C22H24FN3O2/c1-14(2)21(16-8-10-17(23)11-9-16)25-20(27)12-13-26-15(3)24-19-7-5-4-6-18(19)22(26)28/h4-11,14,21H,12-13H2,1-3H3,(H,25,27)
InChIKeyPBZNKIKNKVOWQD-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.75
Rot. Bonds6

About N-[1-(4-fluorophenyl)-2-methylpropyl]-3-(2-methyl-4-oxoquinazolin-3-yl)propanamide

N-[1-(4-fluorophenyl)-2-methylpropyl]-3-(2-methyl-4-oxoquinazolin-3-yl)propanamide (PubChem CID 46969306) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-methylpropyl]-3-(2-methyl-4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-methylpropyl]-3-(2-methyl-4-oxoquinazolin-3-yl)propanamide
PubChem CID46969306
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC NameN-[1-(4-fluorophenyl)-2-methylpropyl]-3-(2-methyl-4-oxoquinazolin-3-yl)propanamide
SMILESCc1nc2ccccc2c(=O)n1CCC(=O)NC(c1ccc(F)cc1)C(C)C
InChIInChI=1S/C22H24FN3O2/c1-14(2)21(16-8-10-17(23)11-9-16)25-20(27)12-13-26-15(3)24-19-7-5-4-6-18(19)22(26)28/h4-11,14,21H,12-13H2,1-3H3,(H,25,27)
InChIKeyPBZNKIKNKVOWQD-UHFFFAOYSA-N
XLogP3.75
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(4-fluorophenyl)-2-methylpropyl]-3-(2-methyl-4-oxoquinazolin-3-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]-3-(2-methyl-4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]-3-(2-methyl-4-oxoquinazolin-3-yl)propanamide (CID 46969306) is N-[1-(4-fluorophenyl)-2-methylpropyl]-3-(2-methyl-4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-methylpropyl]-3-(2-methyl-4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-methylpropyl]-3-(2-methyl-4-oxoquinazolin-3-yl)propanamide is Cc1nc2ccccc2c(=O)n1CCC(=O)NC(c1ccc(F)cc1)C(C)C.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-methylpropyl]-3-(2-methyl-4-oxoquinazolin-3-yl)propanamide?
The InChIKey is PBZNKIKNKVOWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-14(2)21(16-8-10-17(23)11-9-16)25-20(27)12-13-26-15(3)24-19-7-5-4-6-18(19)22(26)28/h4-11,14,21H,12-13H2,1-3H3,(H,25,27).
What are the key properties of N-[1-(4-fluorophenyl)-2-methylpropyl]-3-(2-methyl-4-oxoquinazolin-3-yl)propanamide?
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-(2-methyl-4-oxoquinazolin-3-yl)propanamide has a molecular weight of 381.45 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-methylpropyl]-3-(2-methyl-4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 46969306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).