3-bromo-1-ethyl-5,6,7,8-tetrahydroquinolin-2-one

C11H14BrNO — CID 112547546

IUPAC3-bromo-1-ethyl-5,6,7,8-tetrahydroquinolin-2-one
SMILESCCn1c2c(cc(Br)c1=O)CCCC2
InChIInChI=1S/C11H14BrNO/c1-2-13-10-6-4-3-5-8(10)7-9(12)11(13)14/h7H,2-6H2,1H3
InChIKeyPWBNCEJWOLCYMC-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.51
Rot. Bonds1

About 3-bromo-1-ethyl-5,6,7,8-tetrahydroquinolin-2-one

3-bromo-1-ethyl-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 112547546) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 3-bromo-1-ethyl-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name3-bromo-1-ethyl-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID112547546
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name3-bromo-1-ethyl-5,6,7,8-tetrahydroquinolin-2-one
SMILESCCn1c2c(cc(Br)c1=O)CCCC2
InChIInChI=1S/C11H14BrNO/c1-2-13-10-6-4-3-5-8(10)7-9(12)11(13)14/h7H,2-6H2,1H3
InChIKeyPWBNCEJWOLCYMC-UHFFFAOYSA-N
XLogP2.51
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-bromo-1-ethyl-5,6,7,8-tetrahydroquinolin-2-one with MolForge

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Related Compounds

3-(aminomethyl)-1-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-one
CID 82189202
1-ethyl-3-(propylaminomethyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 82522595
1-butyl-3-ethyl-5,6,7,8-tetrahydroquinolin-2-one
CID 13169244
3-(chloromethyl)-1-propyl-5,6,7,8-tetrahydroquinolin-2-one
CID 82522536
1-ethyl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82523253
3-acetyl-1-propyl-5,6,7,8-tetrahydroquinolin-2-one
CID 82522519
3-[amino-(4-chlorophenyl)methyl]-1-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82523256
3-[amino(thiophen-2-yl)methyl]-1-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82523254
1-butyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbaldehyde
CID 89153702
1-ethyl-3-(4-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82523250
3-(piperazine-1-carbonyl)-1-propyl-5,6,7,8-tetrahydroquinolin-2-one
CID 82522532
3-bromo-1-ethylquinolin-2-one
CID 116985609

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-ethyl-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 3-bromo-1-ethyl-5,6,7,8-tetrahydroquinolin-2-one (CID 112547546) is 3-bromo-1-ethyl-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 3-bromo-1-ethyl-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 3-bromo-1-ethyl-5,6,7,8-tetrahydroquinolin-2-one is CCn1c2c(cc(Br)c1=O)CCCC2.
What is the InChIKey of 3-bromo-1-ethyl-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is PWBNCEJWOLCYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-2-13-10-6-4-3-5-8(10)7-9(12)11(13)14/h7H,2-6H2,1H3.
What are the key properties of 3-bromo-1-ethyl-5,6,7,8-tetrahydroquinolin-2-one?
3-bromo-1-ethyl-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 256.14 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-ethyl-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 112547546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).