2-butyl-2-ethyl-6-methoxy-1,3-dihydroquinazolin-4-one

C15H22N2O2 — CID 91326452

IUPAC2-butyl-2-ethyl-6-methoxy-1,3-dihydroquinazolin-4-one
SMILESCCCCC1(CC)NC(=O)c2cc(OC)ccc2N1
InChIInChI=1S/C15H22N2O2/c1-4-6-9-15(5-2)16-13-8-7-11(19-3)10-12(13)14(18)17-15/h7-8,10,16H,4-6,9H2,1-3H3,(H,17,18)
InChIKeyMXSHWOMFOJNMNR-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.15
Rot. Bonds5

About 2-butyl-2-ethyl-6-methoxy-1,3-dihydroquinazolin-4-one

2-butyl-2-ethyl-6-methoxy-1,3-dihydroquinazolin-4-one (PubChem CID 91326452) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-butyl-2-ethyl-6-methoxy-1,3-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-butyl-2-ethyl-6-methoxy-1,3-dihydroquinazolin-4-one
PubChem CID91326452
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-butyl-2-ethyl-6-methoxy-1,3-dihydroquinazolin-4-one
SMILESCCCCC1(CC)NC(=O)c2cc(OC)ccc2N1
InChIInChI=1S/C15H22N2O2/c1-4-6-9-15(5-2)16-13-8-7-11(19-3)10-12(13)14(18)17-15/h7-8,10,16H,4-6,9H2,1-3H3,(H,17,18)
InChIKeyMXSHWOMFOJNMNR-UHFFFAOYSA-N
XLogP3.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-ethyl-6-methoxy-1,3-dihydroquinazolin-4-one?
The IUPAC name of 2-butyl-2-ethyl-6-methoxy-1,3-dihydroquinazolin-4-one (CID 91326452) is 2-butyl-2-ethyl-6-methoxy-1,3-dihydroquinazolin-4-one.
What is the SMILES notation for 2-butyl-2-ethyl-6-methoxy-1,3-dihydroquinazolin-4-one?
The canonical SMILES for 2-butyl-2-ethyl-6-methoxy-1,3-dihydroquinazolin-4-one is CCCCC1(CC)NC(=O)c2cc(OC)ccc2N1.
What is the InChIKey of 2-butyl-2-ethyl-6-methoxy-1,3-dihydroquinazolin-4-one?
The InChIKey is MXSHWOMFOJNMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-6-9-15(5-2)16-13-8-7-11(19-3)10-12(13)14(18)17-15/h7-8,10,16H,4-6,9H2,1-3H3,(H,17,18).
What are the key properties of 2-butyl-2-ethyl-6-methoxy-1,3-dihydroquinazolin-4-one?
2-butyl-2-ethyl-6-methoxy-1,3-dihydroquinazolin-4-one has a molecular weight of 262.35 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-ethyl-6-methoxy-1,3-dihydroquinazolin-4-one is sourced from PubChem (CID 91326452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).