N-butyl-2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]acetamide

C20H21N3O3 — CID 3600020

IUPACN-butyl-2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]acetamide
SMILESCCCCNC(=O)Cc1ccc(-n2c(=O)[nH]c3ccccc3c2=O)cc1
InChIInChI=1S/C20H21N3O3/c1-2-3-12-21-18(24)13-14-8-10-15(11-9-14)23-19(25)16-6-4-5-7-17(16)22-20(23)26/h4-11H,2-3,12-13H2,1H3,(H,21,24)(H,22,26)
InChIKeyHZFVUAUWJQRDHZ-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.14
Rot. Bonds6

About N-butyl-2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]acetamide

N-butyl-2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]acetamide (PubChem CID 3600020) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-butyl-2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]acetamide
PubChem CID3600020
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-butyl-2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]acetamide
SMILESCCCCNC(=O)Cc1ccc(-n2c(=O)[nH]c3ccccc3c2=O)cc1
InChIInChI=1S/C20H21N3O3/c1-2-3-12-21-18(24)13-14-8-10-15(11-9-14)23-19(25)16-6-4-5-7-17(16)22-20(23)26/h4-11H,2-3,12-13H2,1H3,(H,21,24)(H,22,26)
InChIKeyHZFVUAUWJQRDHZ-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]acetamide?
The IUPAC name of N-butyl-2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]acetamide (CID 3600020) is N-butyl-2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]acetamide.
What is the SMILES notation for N-butyl-2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]acetamide?
The canonical SMILES for N-butyl-2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]acetamide is CCCCNC(=O)Cc1ccc(-n2c(=O)[nH]c3ccccc3c2=O)cc1.
What is the InChIKey of N-butyl-2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]acetamide?
The InChIKey is HZFVUAUWJQRDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-2-3-12-21-18(24)13-14-8-10-15(11-9-14)23-19(25)16-6-4-5-7-17(16)22-20(23)26/h4-11H,2-3,12-13H2,1H3,(H,21,24)(H,22,26).
What are the key properties of N-butyl-2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]acetamide?
N-butyl-2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]acetamide has a molecular weight of 351.41 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]acetamide is sourced from PubChem (CID 3600020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).