N-(1-adamantylcarbamoyl)-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide

C21H22Cl2N4O3 — CID 3950170

IUPACN-(1-adamantylcarbamoyl)-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide
SMILESO=C(COc1ncnc2c(Cl)cc(Cl)cc12)NC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H22Cl2N4O3/c22-14-4-15-18(16(23)5-14)24-10-25-19(15)30-9-17(28)26-20(29)27-21-6-11-1-12(7-21)3-13(2-11)8-21/h4-5,10-13H,1-3,6-9H2,(H2,26,27,28,29)
InChIKeyKQZDQHFMLGIFRW-UHFFFAOYSA-N
MW449.34 g/mol
LogP4.11
Rot. Bonds4

About N-(1-adamantylcarbamoyl)-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide

N-(1-adamantylcarbamoyl)-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide (PubChem CID 3950170) has the molecular formula C21H22Cl2N4O3 and a molecular weight of 449.34 g/mol. Its IUPAC name is N-(1-adamantylcarbamoyl)-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-(1-adamantylcarbamoyl)-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide
PubChem CID3950170
Molecular FormulaC21H22Cl2N4O3
Molecular Weight449.34 g/mol
Exact Mass448.11
IUPAC NameN-(1-adamantylcarbamoyl)-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide
SMILESO=C(COc1ncnc2c(Cl)cc(Cl)cc12)NC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H22Cl2N4O3/c22-14-4-15-18(16(23)5-14)24-10-25-19(15)30-9-17(28)26-20(29)27-21-6-11-1-12(7-21)3-13(2-11)8-21/h4-5,10-13H,1-3,6-9H2,(H2,26,27,28,29)
InChIKeyKQZDQHFMLGIFRW-UHFFFAOYSA-N
XLogP4.11
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.34
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylcarbamoyl)-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide?
The IUPAC name of N-(1-adamantylcarbamoyl)-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide (CID 3950170) is N-(1-adamantylcarbamoyl)-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide.
What is the SMILES notation for N-(1-adamantylcarbamoyl)-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide?
The canonical SMILES for N-(1-adamantylcarbamoyl)-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide is O=C(COc1ncnc2c(Cl)cc(Cl)cc12)NC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylcarbamoyl)-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide?
The InChIKey is KQZDQHFMLGIFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N4O3/c22-14-4-15-18(16(23)5-14)24-10-25-19(15)30-9-17(28)26-20(29)27-21-6-11-1-12(7-21)3-13(2-11)8-21/h4-5,10-13H,1-3,6-9H2,(H2,26,27,28,29).
What are the key properties of N-(1-adamantylcarbamoyl)-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide?
N-(1-adamantylcarbamoyl)-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide has a molecular weight of 449.34 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylcarbamoyl)-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide is sourced from PubChem (CID 3950170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).