3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-N-(4-oxo-3H-quinazolin-6-yl)propanamide

C22H21N5O2 — CID 136869714

IUPAC3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-N-(4-oxo-3H-quinazolin-6-yl)propanamide
SMILESCc1cc(C)n(-c2ccc(CCC(=O)Nc3ccc4nc[nH]c(=O)c4c3)cc2)n1
InChIInChI=1S/C22H21N5O2/c1-14-11-15(2)27(26-14)18-7-3-16(4-8-18)5-10-21(28)25-17-6-9-20-19(12-17)22(29)24-13-23-20/h3-4,6-9,11-13H,5,10H2,1-2H3,(H,25,28)(H,23,24,29)
InChIKeyRMEUTVZUOAKFBX-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.30
Rot. Bonds5

About 3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-N-(4-oxo-3H-quinazolin-6-yl)propanamide

3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-N-(4-oxo-3H-quinazolin-6-yl)propanamide (PubChem CID 136869714) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-N-(4-oxo-3H-quinazolin-6-yl)propanamide.

Molecular Properties

Compound Name3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-N-(4-oxo-3H-quinazolin-6-yl)propanamide
PubChem CID136869714
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-N-(4-oxo-3H-quinazolin-6-yl)propanamide
SMILESCc1cc(C)n(-c2ccc(CCC(=O)Nc3ccc4nc[nH]c(=O)c4c3)cc2)n1
InChIInChI=1S/C22H21N5O2/c1-14-11-15(2)27(26-14)18-7-3-16(4-8-18)5-10-21(28)25-17-6-9-20-19(12-17)22(29)24-13-23-20/h3-4,6-9,11-13H,5,10H2,1-2H3,(H,25,28)(H,23,24,29)
InChIKeyRMEUTVZUOAKFBX-UHFFFAOYSA-N
XLogP3.30
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,5-dimethylpyrrol-1-yl)-N-(4-oxo-3H-quinazolin-6-yl)propanamide
CID 135637599
5-(dithiolan-3-yl)-N-(4-oxo-3H-quinazolin-6-yl)pentanamide
CID 135639539
1-(4-methylphenyl)-3-(4-oxo-3H-quinazolin-6-yl)thiourea
CID 135537826
2-(benzylamino)-N-(4-oxo-3H-quinazolin-7-yl)acetamide
CID 135899077
N-[2-(3,5-dimethylpyrazol-1-yl)-1,3-benzothiazol-6-yl]butanamide
CID 50882295
2-[(2S)-oxolan-2-yl]-N-(4-oxo-3H-quinazolin-6-yl)acetamide
CID 136827778
N-(4-oxo-3H-quinazolin-6-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
CID 135637573
N-(3H-benzimidazol-5-yl)-2-(ethylamino)acetamide
CID 115157714
[2-(3,4-dimethylanilino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 42964521
3-(2-chlorophenyl)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide
CID 55707001
N-(3H-benzimidazol-5-yl)-3-chloropropanamide
CID 110460990
ethane;6-ethyl-3H-quinazolin-4-one
CID 143716071

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-N-(4-oxo-3H-quinazolin-6-yl)propanamide?
The IUPAC name of 3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-N-(4-oxo-3H-quinazolin-6-yl)propanamide (CID 136869714) is 3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-N-(4-oxo-3H-quinazolin-6-yl)propanamide.
What is the SMILES notation for 3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-N-(4-oxo-3H-quinazolin-6-yl)propanamide?
The canonical SMILES for 3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-N-(4-oxo-3H-quinazolin-6-yl)propanamide is Cc1cc(C)n(-c2ccc(CCC(=O)Nc3ccc4nc[nH]c(=O)c4c3)cc2)n1.
What is the InChIKey of 3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-N-(4-oxo-3H-quinazolin-6-yl)propanamide?
The InChIKey is RMEUTVZUOAKFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-14-11-15(2)27(26-14)18-7-3-16(4-8-18)5-10-21(28)25-17-6-9-20-19(12-17)22(29)24-13-23-20/h3-4,6-9,11-13H,5,10H2,1-2H3,(H,25,28)(H,23,24,29).
What are the key properties of 3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-N-(4-oxo-3H-quinazolin-6-yl)propanamide?
3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-N-(4-oxo-3H-quinazolin-6-yl)propanamide has a molecular weight of 387.44 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-N-(4-oxo-3H-quinazolin-6-yl)propanamide is sourced from PubChem (CID 136869714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).