N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide

C24H24FN5O2 — CID 55767150

IUPACN-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C24H24FN5O2/c1-29(13-4-5-19-15-22(28-27-19)17-8-10-18(25)11-9-17)23(31)12-14-30-16-26-21-7-3-2-6-20(21)24(30)32/h2-3,6-11,15-16H,4-5,12-14H2,1H3,(H,27,28)
InChIKeyWNOCOZSRXOZQGC-UHFFFAOYSA-N
MW433.49 g/mol
LogP3.41
Rot. Bonds8

About N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide

N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 55767150) has the molecular formula C24H24FN5O2 and a molecular weight of 433.49 g/mol. Its IUPAC name is N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID55767150
Molecular FormulaC24H24FN5O2
Molecular Weight433.49 g/mol
Exact Mass433.19
IUPAC NameN-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C24H24FN5O2/c1-29(13-4-5-19-15-22(28-27-19)17-8-10-18(25)11-9-17)23(31)12-14-30-16-26-21-7-3-2-6-20(21)24(30)32/h2-3,6-11,15-16H,4-5,12-14H2,1H3,(H,27,28)
InChIKeyWNOCOZSRXOZQGC-UHFFFAOYSA-N
XLogP3.41
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[methyl-[3-(4-oxoquinazolin-3-yl)propanoyl]amino]butanoic acid
CID 119137206
N-[(4-fluorophenyl)methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 51272205
3-(4-methylphenyl)-N'-[3-(4-oxoquinazolin-3-yl)propanoyl]-1H-pyrazole-5-carbohydrazide
CID 71891472
N-[(2-fluorophenyl)methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 51271973
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)propanamide
CID 55953086
N-methyl-N-(2-methylpropyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 134058897
N-methyl-3-(4-oxoquinazolin-3-yl)-N-phenylpropanamide
CID 25298269
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-1H-indazole-3-carboxamide
CID 86998733
N,3-dimethyl-4-oxo-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]phthalazine-1-carboxamide
CID 55813894
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,1-dimethyl-6-oxopyridazine-3-carboxamide
CID 55867788
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 86817821
N-methyl-2-(2-oxo-1-pyridinyl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide
CID 55814944

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide (CID 55767150) is N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide is CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)CCn1cnc2ccccc2c1=O.
What is the InChIKey of N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is WNOCOZSRXOZQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O2/c1-29(13-4-5-19-15-22(28-27-19)17-8-10-18(25)11-9-17)23(31)12-14-30-16-26-21-7-3-2-6-20(21)24(30)32/h2-3,6-11,15-16H,4-5,12-14H2,1H3,(H,27,28).
What are the key properties of N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide?
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 433.49 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 55767150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).