6-chloro-3-ethyl-4-methylidene-1H-quinazolin-2-one

C11H11ClN2O — CID 46217575

IUPAC6-chloro-3-ethyl-4-methylidene-1H-quinazolin-2-one
SMILESC=C1c2cc(Cl)ccc2NC(=O)N1CC
InChIInChI=1S/C11H11ClN2O/c1-3-14-7(2)9-6-8(12)4-5-10(9)13-11(14)15/h4-6H,2-3H2,1H3,(H,13,15)
InChIKeyWJBYEQADPLLGCE-UHFFFAOYSA-N
MW222.67 g/mol
LogP3.18
Rot. Bonds1

About 6-chloro-3-ethyl-4-methylidene-1H-quinazolin-2-one

6-chloro-3-ethyl-4-methylidene-1H-quinazolin-2-one (PubChem CID 46217575) has the molecular formula C11H11ClN2O and a molecular weight of 222.67 g/mol. Its IUPAC name is 6-chloro-3-ethyl-4-methylidene-1H-quinazolin-2-one.

Molecular Properties

Compound Name6-chloro-3-ethyl-4-methylidene-1H-quinazolin-2-one
PubChem CID46217575
Molecular FormulaC11H11ClN2O
Molecular Weight222.67 g/mol
Exact Mass222.06
IUPAC Name6-chloro-3-ethyl-4-methylidene-1H-quinazolin-2-one
SMILESC=C1c2cc(Cl)ccc2NC(=O)N1CC
InChIInChI=1S/C11H11ClN2O/c1-3-14-7(2)9-6-8(12)4-5-10(9)13-11(14)15/h4-6H,2-3H2,1H3,(H,13,15)
InChIKeyWJBYEQADPLLGCE-UHFFFAOYSA-N
XLogP3.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-chlorophenyl)-6-methoxy-4-methylidene-1H-quinazolin-2-one
CID 914427
7-chloro-5-methylidene-3,10-dihydro-2H-imidazo[2,1-b]quinazoline
CID 11172030
6-(1-methoxyethenyl)-3-[(4-methoxyphenyl)methyl]-4-methylidene-1H-quinazolin-2-one
CID 142161622
(5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-ethylimidazolidine-2,4-dione
CID 21230388
6-chloro-3-methylideneisoindol-1-one
CID 46863584
3-(1-bromoethenyl)-6-chloro-3-methyl-1H-quinoline-2,4-dione
CID 71551352
5-chloro-3-ethyl-3-hydroxy-1H-indol-2-one
CID 159617645
ethyl 7-chloro-5-hydroxy-2-oxo-1,3-dihydro-1-benzazepine-4-carboxylate
CID 69283882
diethyl (2E)-2-(5-chloro-2-oxo-1H-indol-3-ylidene)-3-oxobutanedioate
CID 71483490
(3E)-5-chloro-3-non-5-yn-4-ylidene-1H-indol-2-one
CID 11507524
3-ethyl-5-methylideneimidazolidine-2,4-dione
CID 20515710
7-chloro-4-ethyl-3-methyl-1,3-dihydroquinoxalin-2-one
CID 115095619

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-ethyl-4-methylidene-1H-quinazolin-2-one?
The IUPAC name of 6-chloro-3-ethyl-4-methylidene-1H-quinazolin-2-one (CID 46217575) is 6-chloro-3-ethyl-4-methylidene-1H-quinazolin-2-one.
What is the SMILES notation for 6-chloro-3-ethyl-4-methylidene-1H-quinazolin-2-one?
The canonical SMILES for 6-chloro-3-ethyl-4-methylidene-1H-quinazolin-2-one is C=C1c2cc(Cl)ccc2NC(=O)N1CC.
What is the InChIKey of 6-chloro-3-ethyl-4-methylidene-1H-quinazolin-2-one?
The InChIKey is WJBYEQADPLLGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-3-14-7(2)9-6-8(12)4-5-10(9)13-11(14)15/h4-6H,2-3H2,1H3,(H,13,15).
What are the key properties of 6-chloro-3-ethyl-4-methylidene-1H-quinazolin-2-one?
6-chloro-3-ethyl-4-methylidene-1H-quinazolin-2-one has a molecular weight of 222.67 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-ethyl-4-methylidene-1H-quinazolin-2-one is sourced from PubChem (CID 46217575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).