4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(4-methylphenyl)methyl]butanamide

C20H21N3O3 — CID 3243955

IUPAC4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(4-methylphenyl)methyl]butanamide
SMILESCc1ccc(CNC(=O)CCCn2c(=O)[nH]c3ccccc3c2=O)cc1
InChIInChI=1S/C20H21N3O3/c1-14-8-10-15(11-9-14)13-21-18(24)7-4-12-23-19(25)16-5-2-3-6-17(16)22-20(23)26/h2-3,5-6,8-11H,4,7,12-13H2,1H3,(H,21,24)(H,22,26)
InChIKeyCDZCEXTZMCGZOZ-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.09
Rot. Bonds6

About 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(4-methylphenyl)methyl]butanamide

4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(4-methylphenyl)methyl]butanamide (PubChem CID 3243955) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(4-methylphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(4-methylphenyl)methyl]butanamide
PubChem CID3243955
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(4-methylphenyl)methyl]butanamide
SMILESCc1ccc(CNC(=O)CCCn2c(=O)[nH]c3ccccc3c2=O)cc1
InChIInChI=1S/C20H21N3O3/c1-14-8-10-15(11-9-14)13-21-18(24)7-4-12-23-19(25)16-5-2-3-6-17(16)22-20(23)26/h2-3,5-6,8-11H,4,7,12-13H2,1H3,(H,21,24)(H,22,26)
InChIKeyCDZCEXTZMCGZOZ-UHFFFAOYSA-N
XLogP2.09
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(4-methylphenyl)methyl]butanamide?
The IUPAC name of 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(4-methylphenyl)methyl]butanamide (CID 3243955) is 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(4-methylphenyl)methyl]butanamide.
What is the SMILES notation for 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(4-methylphenyl)methyl]butanamide?
The canonical SMILES for 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(4-methylphenyl)methyl]butanamide is Cc1ccc(CNC(=O)CCCn2c(=O)[nH]c3ccccc3c2=O)cc1.
What is the InChIKey of 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(4-methylphenyl)methyl]butanamide?
The InChIKey is CDZCEXTZMCGZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14-8-10-15(11-9-14)13-21-18(24)7-4-12-23-19(25)16-5-2-3-6-17(16)22-20(23)26/h2-3,5-6,8-11H,4,7,12-13H2,1H3,(H,21,24)(H,22,26).
What are the key properties of 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(4-methylphenyl)methyl]butanamide?
4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(4-methylphenyl)methyl]butanamide has a molecular weight of 351.41 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(4-methylphenyl)methyl]butanamide is sourced from PubChem (CID 3243955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).