4-ethyl-6-methoxy-3,4-dihydro-1H-quinazolin-2-one

C11H14N2O2 — CID 105458950

IUPAC4-ethyl-6-methoxy-3,4-dihydro-1H-quinazolin-2-one
SMILESCCC1NC(=O)Nc2ccc(OC)cc21
InChIInChI=1S/C11H14N2O2/c1-3-9-8-6-7(15-2)4-5-10(8)13-11(14)12-9/h4-6,9H,3H2,1-2H3,(H2,12,13,14)
InChIKeyYZKWSJSPVWRSRE-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.28
Rot. Bonds2

About 4-ethyl-6-methoxy-3,4-dihydro-1H-quinazolin-2-one

4-ethyl-6-methoxy-3,4-dihydro-1H-quinazolin-2-one (PubChem CID 105458950) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 4-ethyl-6-methoxy-3,4-dihydro-1H-quinazolin-2-one.

Molecular Properties

Compound Name4-ethyl-6-methoxy-3,4-dihydro-1H-quinazolin-2-one
PubChem CID105458950
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name4-ethyl-6-methoxy-3,4-dihydro-1H-quinazolin-2-one
SMILESCCC1NC(=O)Nc2ccc(OC)cc21
InChIInChI=1S/C11H14N2O2/c1-3-9-8-6-7(15-2)4-5-10(8)13-11(14)12-9/h4-6,9H,3H2,1-2H3,(H2,12,13,14)
InChIKeyYZKWSJSPVWRSRE-UHFFFAOYSA-N
XLogP2.28
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-6-methoxy-1,4-dihydro-3,1-benzoxazin-2-one
CID 13260479
3-butyl-5-methoxy-1,3-dihydroindol-2-one
CID 103846259
5-methoxy-3-(pentylamino)-1,3-dihydroindol-2-one
CID 114990088
7-methoxy-4-propan-2-yl-3,4-dihydro-1H-quinazolin-2-one
CID 105475927
4-ethenyl-6-methoxy-1,4-dihydro-3,1-benzoxazin-2-one
CID 154709488
2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)propanoic acid
CID 79730196
4-hydroxy-6-methoxy-3,4-dihydro-1H-quinolin-2-one
CID 130007478
5-methoxy-3-(2-methylbutylamino)-1,3-dihydroindol-2-one
CID 115002941
(3R)-3-(hydroxymethyl)-7-methoxy-3,4-dihydro-1H-quinoxalin-2-one
CID 166462052
1-ethyl-5-methoxy-1,3-dihydroinden-2-one
CID 14640419
(3S)-3-ethyl-7-methoxy-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 125441566
3-(aminomethyl)-6-methoxy-1,3-dihydroindol-2-one
CID 53407740

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-methoxy-3,4-dihydro-1H-quinazolin-2-one?
The IUPAC name of 4-ethyl-6-methoxy-3,4-dihydro-1H-quinazolin-2-one (CID 105458950) is 4-ethyl-6-methoxy-3,4-dihydro-1H-quinazolin-2-one.
What is the SMILES notation for 4-ethyl-6-methoxy-3,4-dihydro-1H-quinazolin-2-one?
The canonical SMILES for 4-ethyl-6-methoxy-3,4-dihydro-1H-quinazolin-2-one is CCC1NC(=O)Nc2ccc(OC)cc21.
What is the InChIKey of 4-ethyl-6-methoxy-3,4-dihydro-1H-quinazolin-2-one?
The InChIKey is YZKWSJSPVWRSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-3-9-8-6-7(15-2)4-5-10(8)13-11(14)12-9/h4-6,9H,3H2,1-2H3,(H2,12,13,14).
What are the key properties of 4-ethyl-6-methoxy-3,4-dihydro-1H-quinazolin-2-one?
4-ethyl-6-methoxy-3,4-dihydro-1H-quinazolin-2-one has a molecular weight of 206.24 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-methoxy-3,4-dihydro-1H-quinazolin-2-one is sourced from PubChem (CID 105458950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).