2-[3-(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C19H19BrN4O2 — CID 86933947

IUPAC2-[3-(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCc1cc(Br)cc2c1N(C(=O)CCn1nc3ccccn3c1=O)CCC2
InChIInChI=1S/C19H19BrN4O2/c1-13-11-15(20)12-14-5-4-9-23(18(13)14)17(25)7-10-24-19(26)22-8-3-2-6-16(22)21-24/h2-3,6,8,11-12H,4-5,7,9-10H2,1H3
InChIKeyUWKRPCVCJUQBJN-UHFFFAOYSA-N
MW415.29 g/mol
LogP2.94
Rot. Bonds3

About 2-[3-(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[3-(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 86933947) has the molecular formula C19H19BrN4O2 and a molecular weight of 415.29 g/mol. Its IUPAC name is 2-[3-(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[3-(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID86933947
Molecular FormulaC19H19BrN4O2
Molecular Weight415.29 g/mol
Exact Mass414.07
IUPAC Name2-[3-(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCc1cc(Br)cc2c1N(C(=O)CCn1nc3ccccn3c1=O)CCC2
InChIInChI=1S/C19H19BrN4O2/c1-13-11-15(20)12-14-5-4-9-23(18(13)14)17(25)7-10-24-19(26)22-8-3-2-6-16(22)21-24/h2-3,6,8,11-12H,4-5,7,9-10H2,1H3
InChIKeyUWKRPCVCJUQBJN-UHFFFAOYSA-N
XLogP2.94
TPSA59.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.29
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

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Launch Full Analysis

Related Compounds

2-(3-oxo-3-piperazin-1-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62543101
2-(3-oxobutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62017704
1-(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one
CID 86887082
1-(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-cyclopentylsulfonylpropan-1-one
CID 86887076
2-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 119487995
2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115619085
2-[ethyl-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoyl]amino]acetic acid
CID 119206118
[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl] 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoate
CID 166205268
1-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione
CID 51289186
2-[3-oxo-3-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 95765291
methyl 4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)butanoate
CID 43378341
methyl 1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]-3,4-dihydro-2H-quinoline-5-carboxylate
CID 87017854

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[3-(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 86933947) is 2-[3-(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[3-(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[3-(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is Cc1cc(Br)cc2c1N(C(=O)CCn1nc3ccccn3c1=O)CCC2.
What is the InChIKey of 2-[3-(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is UWKRPCVCJUQBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O2/c1-13-11-15(20)12-14-5-4-9-23(18(13)14)17(25)7-10-24-19(26)22-8-3-2-6-16(22)21-24/h2-3,6,8,11-12H,4-5,7,9-10H2,1H3.
What are the key properties of 2-[3-(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[3-(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 415.29 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 86933947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).