1-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinoline

C19H14BrFN4 — CID 175809169

IUPAC1-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinoline
SMILESFc1ccc2c(ccc3nnc(N4CCCc5c(Br)cccc54)n32)c1
InChIInChI=1S/C19H14BrFN4/c20-15-4-1-5-17-14(15)3-2-10-24(17)19-23-22-18-9-6-12-11-13(21)7-8-16(12)25(18)19/h1,4-9,11H,2-3,10H2
InChIKeySFBIHRBGVDDYQS-UHFFFAOYSA-N
MW397.25 g/mol
LogP4.87
Rot. Bonds1

About 1-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinoline

1-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinoline (PubChem CID 175809169) has the molecular formula C19H14BrFN4 and a molecular weight of 397.25 g/mol. Its IUPAC name is 1-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinoline.

Molecular Properties

Compound Name1-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinoline
PubChem CID175809169
Molecular FormulaC19H14BrFN4
Molecular Weight397.25 g/mol
Exact Mass396.04
IUPAC Name1-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinoline
SMILESFc1ccc2c(ccc3nnc(N4CCCc5c(Br)cccc54)n32)c1
InChIInChI=1S/C19H14BrFN4/c20-15-4-1-5-17-14(15)3-2-10-24(17)19-23-22-18-9-6-12-11-13(21)7-8-16(12)25(18)19/h1,4-9,11H,2-3,10H2
InChIKeySFBIHRBGVDDYQS-UHFFFAOYSA-N
XLogP4.87
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.25
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-chloro-6-fluoroquinazoline
CID 156557419
5-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-6,8-difluoro-[1,2,4]triazolo[4,3-a]quinazoline
CID 156536598
5-(6-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazoline
CID 156557403
8-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-2,4,5,7,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 166547667
7-fluoro-5-(7-fluoro-5-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline
CID 156557132
7-fluoro-1-methyl-5-[5-(4,4,4-trifluoro-3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline
CID 156557718
1-ethanimidoyl-6-fluoro-4-(5-methyl-3,4-dihydro-2H-quinolin-1-yl)quinazolin-2-imine
CID 156800234
8-bromo-4-(7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-2,3-dihydro-1,4-benzoxazine
CID 156537464
1-chloro-7-fluoro-5-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline
CID 175789968
4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-5-fluoro-1-(trideuteriomethyl)-2H-quinazoline
CID 170782326
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-5-fluorophenyl)methanone
CID 82711987
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-4-fluorophenyl)methanone
CID 82712007

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinoline?
The IUPAC name of 1-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinoline (CID 175809169) is 1-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinoline.
What is the SMILES notation for 1-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinoline?
The canonical SMILES for 1-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinoline is Fc1ccc2c(ccc3nnc(N4CCCc5c(Br)cccc54)n32)c1.
What is the InChIKey of 1-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinoline?
The InChIKey is SFBIHRBGVDDYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrFN4/c20-15-4-1-5-17-14(15)3-2-10-24(17)19-23-22-18-9-6-12-11-13(21)7-8-16(12)25(18)19/h1,4-9,11H,2-3,10H2.
What are the key properties of 1-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinoline?
1-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinoline has a molecular weight of 397.25 g/mol, XLogP of 4.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinoline is sourced from PubChem (CID 175809169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).