1-benzyl-5-ethyltriazolo[4,5-c]quinolin-4-one

C18H16N4O — CID 132516535

IUPAC1-benzyl-5-ethyltriazolo[4,5-c]quinolin-4-one
SMILESCCn1c(=O)c2nnn(Cc3ccccc3)c2c2ccccc21
InChIInChI=1S/C18H16N4O/c1-2-21-15-11-7-6-10-14(15)17-16(18(21)23)19-20-22(17)12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
InChIKeyXITRBDIFIYAHFO-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.81
Rot. Bonds3

About 1-benzyl-5-ethyltriazolo[4,5-c]quinolin-4-one

1-benzyl-5-ethyltriazolo[4,5-c]quinolin-4-one (PubChem CID 132516535) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-benzyl-5-ethyltriazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name1-benzyl-5-ethyltriazolo[4,5-c]quinolin-4-one
PubChem CID132516535
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name1-benzyl-5-ethyltriazolo[4,5-c]quinolin-4-one
SMILESCCn1c(=O)c2nnn(Cc3ccccc3)c2c2ccccc21
InChIInChI=1S/C18H16N4O/c1-2-21-15-11-7-6-10-14(15)17-16(18(21)23)19-20-22(17)12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
InChIKeyXITRBDIFIYAHFO-UHFFFAOYSA-N
XLogP2.81
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-5-propylimidazo[4,5-c]quinolin-4-one
CID 10448523
1-benzyl-3-ethylbenzimidazol-2-one
CID 22558159
1-benzyl-5-butylimidazo[4,5-c]quinolin-4-one
CID 3077022
5-ethyl-2-methylpyrazolo[3,4-c]quinolin-4-one
CID 1205622
1-benzyl-4-(2-methylphenyl)triazolo[4,5-c]quinoline
CID 102583421
1-benzyl-4-(diethylamino)-6H-triazolo[4,5-d]pyridazin-7-one
CID 10402423
ethyl 3-benzyl-9-ethyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylate
CID 25006913
5-benzyl-2-propyl-[1,3]oxazolo[4,5-c]quinolin-4-one
CID 102193245
4-chloro-1-ethyl-3-phenylquinolin-2-one
CID 139216417
9-benzyl-25-ethyl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,23.024,32.026,31]dotriaconta-1(17),2(10),3,5,7,11,13,15,18,20,22,24(32),26,28,30-pentadecaene
CID 118667433
8-benzyl-14-chloro-2,8,9,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),9,13,15-heptaene
CID 102054887
3,6-dibenzyltriazolo[4,5-d]pyrimidin-7-one
CID 561455

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-ethyltriazolo[4,5-c]quinolin-4-one?
The IUPAC name of 1-benzyl-5-ethyltriazolo[4,5-c]quinolin-4-one (CID 132516535) is 1-benzyl-5-ethyltriazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 1-benzyl-5-ethyltriazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 1-benzyl-5-ethyltriazolo[4,5-c]quinolin-4-one is CCn1c(=O)c2nnn(Cc3ccccc3)c2c2ccccc21.
What is the InChIKey of 1-benzyl-5-ethyltriazolo[4,5-c]quinolin-4-one?
The InChIKey is XITRBDIFIYAHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-2-21-15-11-7-6-10-14(15)17-16(18(21)23)19-20-22(17)12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3.
What are the key properties of 1-benzyl-5-ethyltriazolo[4,5-c]quinolin-4-one?
1-benzyl-5-ethyltriazolo[4,5-c]quinolin-4-one has a molecular weight of 304.35 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-ethyltriazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 132516535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).