N-(5,6-dichloro-1,4-dihydroquinazolin-2-yl)-2-oxoacetamide

C10H7Cl2N3O2 — CID 11550795

IUPACN-(5,6-dichloro-1,4-dihydroquinazolin-2-yl)-2-oxoacetamide
SMILESO=CC(=O)NC1=NCc2c(ccc(Cl)c2Cl)N1
InChIInChI=1S/C10H7Cl2N3O2/c11-6-1-2-7-5(9(6)12)3-13-10(14-7)15-8(17)4-16/h1-2,4H,3H2,(H2,13,14,15,17)
InChIKeyZFBBLHCGHHMVAM-UHFFFAOYSA-N
MW272.09 g/mol
LogP1.59
Rot. Bonds1

About N-(5,6-dichloro-1,4-dihydroquinazolin-2-yl)-2-oxoacetamide

N-(5,6-dichloro-1,4-dihydroquinazolin-2-yl)-2-oxoacetamide (PubChem CID 11550795) has the molecular formula C10H7Cl2N3O2 and a molecular weight of 272.09 g/mol. Its IUPAC name is N-(5,6-dichloro-1,4-dihydroquinazolin-2-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(5,6-dichloro-1,4-dihydroquinazolin-2-yl)-2-oxoacetamide
PubChem CID11550795
Molecular FormulaC10H7Cl2N3O2
Molecular Weight272.09 g/mol
Exact Mass270.99
IUPAC NameN-(5,6-dichloro-1,4-dihydroquinazolin-2-yl)-2-oxoacetamide
SMILESO=CC(=O)NC1=NCc2c(ccc(Cl)c2Cl)N1
InChIInChI=1S/C10H7Cl2N3O2/c11-6-1-2-7-5(9(6)12)3-13-10(14-7)15-8(17)4-16/h1-2,4H,3H2,(H2,13,14,15,17)
InChIKeyZFBBLHCGHHMVAM-UHFFFAOYSA-N
XLogP1.59
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.09
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dichloro-1,4-dihydroquinazolin-2-yl)-2-oxoacetamide?
The IUPAC name of N-(5,6-dichloro-1,4-dihydroquinazolin-2-yl)-2-oxoacetamide (CID 11550795) is N-(5,6-dichloro-1,4-dihydroquinazolin-2-yl)-2-oxoacetamide.
What is the SMILES notation for N-(5,6-dichloro-1,4-dihydroquinazolin-2-yl)-2-oxoacetamide?
The canonical SMILES for N-(5,6-dichloro-1,4-dihydroquinazolin-2-yl)-2-oxoacetamide is O=CC(=O)NC1=NCc2c(ccc(Cl)c2Cl)N1.
What is the InChIKey of N-(5,6-dichloro-1,4-dihydroquinazolin-2-yl)-2-oxoacetamide?
The InChIKey is ZFBBLHCGHHMVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O2/c11-6-1-2-7-5(9(6)12)3-13-10(14-7)15-8(17)4-16/h1-2,4H,3H2,(H2,13,14,15,17).
What are the key properties of N-(5,6-dichloro-1,4-dihydroquinazolin-2-yl)-2-oxoacetamide?
N-(5,6-dichloro-1,4-dihydroquinazolin-2-yl)-2-oxoacetamide has a molecular weight of 272.09 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dichloro-1,4-dihydroquinazolin-2-yl)-2-oxoacetamide is sourced from PubChem (CID 11550795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).