N-(4-acetamidophenyl)-4-(4-oxoquinazolin-3-yl)butanamide

C20H20N4O3 — CID 4904700

IUPACN-(4-acetamidophenyl)-4-(4-oxoquinazolin-3-yl)butanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCCn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C20H20N4O3/c1-14(25)22-15-8-10-16(11-9-15)23-19(26)7-4-12-24-13-21-18-6-3-2-5-17(18)20(24)27/h2-3,5-6,8-11,13H,4,7,12H2,1H3,(H,22,25)(H,23,26)
InChIKeySCQRQYSFXJJKHB-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.77
Rot. Bonds6

About N-(4-acetamidophenyl)-4-(4-oxoquinazolin-3-yl)butanamide

N-(4-acetamidophenyl)-4-(4-oxoquinazolin-3-yl)butanamide (PubChem CID 4904700) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-4-(4-oxoquinazolin-3-yl)butanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-4-(4-oxoquinazolin-3-yl)butanamide
PubChem CID4904700
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-(4-acetamidophenyl)-4-(4-oxoquinazolin-3-yl)butanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCCn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C20H20N4O3/c1-14(25)22-15-8-10-16(11-9-15)23-19(26)7-4-12-24-13-21-18-6-3-2-5-17(18)20(24)27/h2-3,5-6,8-11,13H,4,7,12H2,1H3,(H,22,25)(H,23,26)
InChIKeySCQRQYSFXJJKHB-UHFFFAOYSA-N
XLogP2.77
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-4-(4-oxoquinazolin-3-yl)butanamide?
The IUPAC name of N-(4-acetamidophenyl)-4-(4-oxoquinazolin-3-yl)butanamide (CID 4904700) is N-(4-acetamidophenyl)-4-(4-oxoquinazolin-3-yl)butanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-4-(4-oxoquinazolin-3-yl)butanamide?
The canonical SMILES for N-(4-acetamidophenyl)-4-(4-oxoquinazolin-3-yl)butanamide is CC(=O)Nc1ccc(NC(=O)CCCn2cnc3ccccc3c2=O)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-4-(4-oxoquinazolin-3-yl)butanamide?
The InChIKey is SCQRQYSFXJJKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-14(25)22-15-8-10-16(11-9-15)23-19(26)7-4-12-24-13-21-18-6-3-2-5-17(18)20(24)27/h2-3,5-6,8-11,13H,4,7,12H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-(4-acetamidophenyl)-4-(4-oxoquinazolin-3-yl)butanamide?
N-(4-acetamidophenyl)-4-(4-oxoquinazolin-3-yl)butanamide has a molecular weight of 364.41 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-4-(4-oxoquinazolin-3-yl)butanamide is sourced from PubChem (CID 4904700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).