N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide

C24H25N5O2 — CID 137282586

IUPACN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNC(=O)CCCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C24H25N5O2/c1-16-20(17(2)29(28-16)18-9-4-3-5-10-18)15-25-23(30)14-8-13-22-26-21-12-7-6-11-19(21)24(31)27-22/h3-7,9-12H,8,13-15H2,1-2H3,(H,25,30)(H,26,27,31)
InChIKeyNOTUOMCXXUVDKG-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.36
Rot. Bonds7

About N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide (PubChem CID 137282586) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
PubChem CID137282586
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNC(=O)CCCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C24H25N5O2/c1-16-20(17(2)29(28-16)18-9-4-3-5-10-18)15-25-23(30)14-8-13-22-26-21-12-7-6-11-19(21)24(31)27-22/h3-7,9-12H,8,13-15H2,1-2H3,(H,25,30)(H,26,27,31)
InChIKeyNOTUOMCXXUVDKG-UHFFFAOYSA-N
XLogP3.36
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide with MolForge

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Related Compounds

4-(4-oxo-3H-quinazolin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]butanamide
CID 137285634
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-phenoxybutanamide
CID 46653199
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-methoxypropanamide
CID 35760836
N-[(3-methoxyphenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135927606
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 78810073
N-[3-(N-ethylanilino)propyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137279481
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-oxo-4-phenylbutanamide
CID 134013965
N-(2,6-dimethylphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135848488
N-(3-aminopropyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide;hydrochloride
CID 137098154
N-[(2,4-dimethoxyphenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137303370
N-(2-methoxy-2-phenylethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137303290
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137292591

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide (CID 137282586) is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide.
What is the SMILES notation for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The canonical SMILES for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide is Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CCCc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The InChIKey is NOTUOMCXXUVDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-16-20(17(2)29(28-16)18-9-4-3-5-10-18)15-25-23(30)14-8-13-22-26-21-12-7-6-11-19(21)24(31)27-22/h3-7,9-12H,8,13-15H2,1-2H3,(H,25,30)(H,26,27,31).
What are the key properties of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide has a molecular weight of 415.50 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide is sourced from PubChem (CID 137282586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).