3-[(4-amino-2-oxo-1H-quinazolin-5-yl)oxy]-2,2-dimethylhexanamide

C16H22N4O3 — CID 90685828

IUPAC3-[(4-amino-2-oxo-1H-quinazolin-5-yl)oxy]-2,2-dimethylhexanamide
SMILESCCCC(Oc1cccc2[nH]c(=O)nc(N)c12)C(C)(C)C(N)=O
InChIInChI=1S/C16H22N4O3/c1-4-6-11(16(2,3)14(18)21)23-10-8-5-7-9-12(10)13(17)20-15(22)19-9/h5,7-8,11H,4,6H2,1-3H3,(H2,18,21)(H3,17,19,20,22)
InChIKeyCYIIHSSBTUUSMX-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.56
Rot. Bonds6

About 3-[(4-amino-2-oxo-1H-quinazolin-5-yl)oxy]-2,2-dimethylhexanamide

3-[(4-amino-2-oxo-1H-quinazolin-5-yl)oxy]-2,2-dimethylhexanamide (PubChem CID 90685828) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-[(4-amino-2-oxo-1H-quinazolin-5-yl)oxy]-2,2-dimethylhexanamide.

Molecular Properties

Compound Name3-[(4-amino-2-oxo-1H-quinazolin-5-yl)oxy]-2,2-dimethylhexanamide
PubChem CID90685828
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name3-[(4-amino-2-oxo-1H-quinazolin-5-yl)oxy]-2,2-dimethylhexanamide
SMILESCCCC(Oc1cccc2[nH]c(=O)nc(N)c12)C(C)(C)C(N)=O
InChIInChI=1S/C16H22N4O3/c1-4-6-11(16(2,3)14(18)21)23-10-8-5-7-9-12(10)13(17)20-15(22)19-9/h5,7-8,11H,4,6H2,1-3H3,(H2,18,21)(H3,17,19,20,22)
InChIKeyCYIIHSSBTUUSMX-UHFFFAOYSA-N
XLogP1.56
TPSA124.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-2-oxo-1H-quinazolin-5-yl)oxy]-2,2-dimethylhexanamide?
The IUPAC name of 3-[(4-amino-2-oxo-1H-quinazolin-5-yl)oxy]-2,2-dimethylhexanamide (CID 90685828) is 3-[(4-amino-2-oxo-1H-quinazolin-5-yl)oxy]-2,2-dimethylhexanamide.
What is the SMILES notation for 3-[(4-amino-2-oxo-1H-quinazolin-5-yl)oxy]-2,2-dimethylhexanamide?
The canonical SMILES for 3-[(4-amino-2-oxo-1H-quinazolin-5-yl)oxy]-2,2-dimethylhexanamide is CCCC(Oc1cccc2[nH]c(=O)nc(N)c12)C(C)(C)C(N)=O.
What is the InChIKey of 3-[(4-amino-2-oxo-1H-quinazolin-5-yl)oxy]-2,2-dimethylhexanamide?
The InChIKey is CYIIHSSBTUUSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-4-6-11(16(2,3)14(18)21)23-10-8-5-7-9-12(10)13(17)20-15(22)19-9/h5,7-8,11H,4,6H2,1-3H3,(H2,18,21)(H3,17,19,20,22).
What are the key properties of 3-[(4-amino-2-oxo-1H-quinazolin-5-yl)oxy]-2,2-dimethylhexanamide?
3-[(4-amino-2-oxo-1H-quinazolin-5-yl)oxy]-2,2-dimethylhexanamide has a molecular weight of 318.38 g/mol, XLogP of 1.56, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-2-oxo-1H-quinazolin-5-yl)oxy]-2,2-dimethylhexanamide is sourced from PubChem (CID 90685828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).