3-ethyl-6-(1-imidazol-1-yl-2-methylpropyl)-1,4-dihydroquinazolin-2-one

C17H22N4O — CID 174293394

IUPAC3-ethyl-6-(1-imidazol-1-yl-2-methylpropyl)-1,4-dihydroquinazolin-2-one
SMILESCCN1Cc2cc(C(C(C)C)n3ccnc3)ccc2NC1=O
InChIInChI=1S/C17H22N4O/c1-4-20-10-14-9-13(5-6-15(14)19-17(20)22)16(12(2)3)21-8-7-18-11-21/h5-9,11-12,16H,4,10H2,1-3H3,(H,19,22)
InChIKeyXMGYWZUMTVIEOF-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.50
Rot. Bonds4

About 3-ethyl-6-(1-imidazol-1-yl-2-methylpropyl)-1,4-dihydroquinazolin-2-one

3-ethyl-6-(1-imidazol-1-yl-2-methylpropyl)-1,4-dihydroquinazolin-2-one (PubChem CID 174293394) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-ethyl-6-(1-imidazol-1-yl-2-methylpropyl)-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name3-ethyl-6-(1-imidazol-1-yl-2-methylpropyl)-1,4-dihydroquinazolin-2-one
PubChem CID174293394
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name3-ethyl-6-(1-imidazol-1-yl-2-methylpropyl)-1,4-dihydroquinazolin-2-one
SMILESCCN1Cc2cc(C(C(C)C)n3ccnc3)ccc2NC1=O
InChIInChI=1S/C17H22N4O/c1-4-20-10-14-9-13(5-6-15(14)19-17(20)22)16(12(2)3)21-8-7-18-11-21/h5-9,11-12,16H,4,10H2,1-3H3,(H,19,22)
InChIKeyXMGYWZUMTVIEOF-UHFFFAOYSA-N
XLogP3.50
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-(1-imidazol-1-yl-2-methylpropyl)-1,4-dihydroquinazolin-2-one?
The IUPAC name of 3-ethyl-6-(1-imidazol-1-yl-2-methylpropyl)-1,4-dihydroquinazolin-2-one (CID 174293394) is 3-ethyl-6-(1-imidazol-1-yl-2-methylpropyl)-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 3-ethyl-6-(1-imidazol-1-yl-2-methylpropyl)-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 3-ethyl-6-(1-imidazol-1-yl-2-methylpropyl)-1,4-dihydroquinazolin-2-one is CCN1Cc2cc(C(C(C)C)n3ccnc3)ccc2NC1=O.
What is the InChIKey of 3-ethyl-6-(1-imidazol-1-yl-2-methylpropyl)-1,4-dihydroquinazolin-2-one?
The InChIKey is XMGYWZUMTVIEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-4-20-10-14-9-13(5-6-15(14)19-17(20)22)16(12(2)3)21-8-7-18-11-21/h5-9,11-12,16H,4,10H2,1-3H3,(H,19,22).
What are the key properties of 3-ethyl-6-(1-imidazol-1-yl-2-methylpropyl)-1,4-dihydroquinazolin-2-one?
3-ethyl-6-(1-imidazol-1-yl-2-methylpropyl)-1,4-dihydroquinazolin-2-one has a molecular weight of 298.39 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-(1-imidazol-1-yl-2-methylpropyl)-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 174293394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).