N-(2,6-dimethylphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide

C20H21N3O2 — CID 135848488

IUPACN-(2,6-dimethylphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESCc1cccc(C)c1NC(=O)CCCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C20H21N3O2/c1-13-7-5-8-14(2)19(13)23-18(24)12-6-11-17-21-16-10-4-3-9-15(16)20(25)22-17/h3-5,7-10H,6,11-12H2,1-2H3,(H,23,24)(H,21,22,25)
InChIKeyBAVMHHXVZVFLBN-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.50
Rot. Bonds5

About N-(2,6-dimethylphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide

N-(2,6-dimethylphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide (PubChem CID 135848488) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
PubChem CID135848488
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-(2,6-dimethylphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESCc1cccc(C)c1NC(=O)CCCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C20H21N3O2/c1-13-7-5-8-14(2)19(13)23-18(24)12-6-11-17-21-16-10-4-3-9-15(16)20(25)22-17/h3-5,7-10H,6,11-12H2,1-2H3,(H,23,24)(H,21,22,25)
InChIKeyBAVMHHXVZVFLBN-UHFFFAOYSA-N
XLogP3.50
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 135783007
N-(2,6-dimethylphenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135808933
N-(3-fluorophenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135756626
4-(4-oxo-3H-quinazolin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]butanamide
CID 137285634
4-(4-oxo-3H-quinazolin-2-yl)-N-(3-propan-2-ylphenyl)butanamide
CID 135888514
N-(2,6-dimethylphenyl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135808330
4-(4-oxo-3H-quinazolin-2-yl)-N-quinolin-3-ylbutanamide
CID 135939873
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135877243
N-[(2S)-1-aminopropan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137024790
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831902
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135722163
(2,6-dimethylphenyl) 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135809791

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The IUPAC name of N-(2,6-dimethylphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide (CID 135848488) is N-(2,6-dimethylphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide is Cc1cccc(C)c1NC(=O)CCCc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The InChIKey is BAVMHHXVZVFLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13-7-5-8-14(2)19(13)23-18(24)12-6-11-17-21-16-10-4-3-9-15(16)20(25)22-17/h3-5,7-10H,6,11-12H2,1-2H3,(H,23,24)(H,21,22,25).
What are the key properties of N-(2,6-dimethylphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
N-(2,6-dimethylphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide has a molecular weight of 335.41 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide is sourced from PubChem (CID 135848488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).