2-ethyl-N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)butanamide

C18H28N4O2 — CID 110237945

IUPAC2-ethyl-N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)butanamide
SMILESCCC(CC)C(=O)NC1CCCc2nc(N3CCOCC3)ncc21
InChIInChI=1S/C18H28N4O2/c1-3-13(4-2)17(23)20-15-6-5-7-16-14(15)12-19-18(21-16)22-8-10-24-11-9-22/h12-13,15H,3-11H2,1-2H3,(H,20,23)
InChIKeyVZNSAERAPWYWBD-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.24
Rot. Bonds5

About 2-ethyl-N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)butanamide

2-ethyl-N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)butanamide (PubChem CID 110237945) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-ethyl-N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)butanamide.

Molecular Properties

Compound Name2-ethyl-N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)butanamide
PubChem CID110237945
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name2-ethyl-N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)butanamide
SMILESCCC(CC)C(=O)NC1CCCc2nc(N3CCOCC3)ncc21
InChIInChI=1S/C18H28N4O2/c1-3-13(4-2)17(23)20-15-6-5-7-16-14(15)12-19-18(21-16)22-8-10-24-11-9-22/h12-13,15H,3-11H2,1-2H3,(H,20,23)
InChIKeyVZNSAERAPWYWBD-UHFFFAOYSA-N
XLogP2.24
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)butanamide?
The IUPAC name of 2-ethyl-N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)butanamide (CID 110237945) is 2-ethyl-N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)butanamide.
What is the SMILES notation for 2-ethyl-N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)butanamide?
The canonical SMILES for 2-ethyl-N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)butanamide is CCC(CC)C(=O)NC1CCCc2nc(N3CCOCC3)ncc21.
What is the InChIKey of 2-ethyl-N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)butanamide?
The InChIKey is VZNSAERAPWYWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-3-13(4-2)17(23)20-15-6-5-7-16-14(15)12-19-18(21-16)22-8-10-24-11-9-22/h12-13,15H,3-11H2,1-2H3,(H,20,23).
What are the key properties of 2-ethyl-N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)butanamide?
2-ethyl-N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)butanamide has a molecular weight of 332.45 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)butanamide is sourced from PubChem (CID 110237945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).