1,3-diethyl-4H-quinazolin-2-one

C12H16N2O — CID 22323562

IUPAC1,3-diethyl-4H-quinazolin-2-one
SMILESCCN1Cc2ccccc2N(CC)C1=O
InChIInChI=1S/C12H16N2O/c1-3-13-9-10-7-5-6-8-11(10)14(4-2)12(13)15/h5-8H,3-4,9H2,1-2H3
InChIKeyKLGJCWVOYZOHAV-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.47
Rot. Bonds2

About 1,3-diethyl-4H-quinazolin-2-one

1,3-diethyl-4H-quinazolin-2-one (PubChem CID 22323562) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1,3-diethyl-4H-quinazolin-2-one.

Molecular Properties

Compound Name1,3-diethyl-4H-quinazolin-2-one
PubChem CID22323562
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1,3-diethyl-4H-quinazolin-2-one
SMILESCCN1Cc2ccccc2N(CC)C1=O
InChIInChI=1S/C12H16N2O/c1-3-13-9-10-7-5-6-8-11(10)14(4-2)12(13)15/h5-8H,3-4,9H2,1-2H3
InChIKeyKLGJCWVOYZOHAV-UHFFFAOYSA-N
XLogP2.47
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-3,4-dihydroquinolin-2-one
CID 14580225
1-ethyl-2H-indol-3-one
CID 22323565
2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetaldehyde
CID 82009959
1-ethyl-3-methyl-4,5-dihydro-3H-1-benzazepin-2-one
CID 58862212
5-ethyl-1-(2-hydroxypropyl)-3,6-dihydro-2H-1,5-benzodiazocin-4-one
CID 70656620
1-(3,3-diethoxypropyl)-3-methyl-4H-quinazolin-2-one
CID 82010171
ethane;2-ethyl-2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yne;propane
CID 167556352
1-(2-amino-3-methylpentyl)-3-methyl-4H-quinazolin-2-one
CID 82006387
1-[(4-iodophenyl)methyl]-3-methyl-4H-quinazolin-2-one
CID 82009512
tert-butyl 3-(3-methyl-2-oxo-4H-quinazolin-1-yl)propanoate
CID 116662774
3-phenylmethoxy-1-propyl-4H-quinazolin-2-one
CID 174994528
1-[2-(chloromethyl)prop-2-enyl]-3-methyl-4H-quinazolin-2-one
CID 103065853

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-4H-quinazolin-2-one?
The IUPAC name of 1,3-diethyl-4H-quinazolin-2-one (CID 22323562) is 1,3-diethyl-4H-quinazolin-2-one.
What is the SMILES notation for 1,3-diethyl-4H-quinazolin-2-one?
The canonical SMILES for 1,3-diethyl-4H-quinazolin-2-one is CCN1Cc2ccccc2N(CC)C1=O.
What is the InChIKey of 1,3-diethyl-4H-quinazolin-2-one?
The InChIKey is KLGJCWVOYZOHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-3-13-9-10-7-5-6-8-11(10)14(4-2)12(13)15/h5-8H,3-4,9H2,1-2H3.
What are the key properties of 1,3-diethyl-4H-quinazolin-2-one?
1,3-diethyl-4H-quinazolin-2-one has a molecular weight of 204.27 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-4H-quinazolin-2-one is sourced from PubChem (CID 22323562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).