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

C19H15F2N5 — CID 156557132

IUPAC7-fluoro-5-(7-fluoro-5-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline
SMILESCc1cc(F)cc2c1CCCN2c1nc2nncn2c2ccc(F)cc12
InChIInChI=1S/C19H15F2N5/c1-11-7-13(21)9-17-14(11)3-2-6-25(17)18-15-8-12(20)4-5-16(15)26-10-22-24-19(26)23-18/h4-5,7-10H,2-3,6H2,1H3
InChIKeyBNOOMYLYJLSIBA-UHFFFAOYSA-N
MW351.36 g/mol
LogP3.95
Rot. Bonds1

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

7-fluoro-5-(7-fluoro-5-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline (PubChem CID 156557132) has the molecular formula C19H15F2N5 and a molecular weight of 351.36 g/mol. Its IUPAC name is 7-fluoro-5-(7-fluoro-5-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline.

Molecular Properties

Compound Name7-fluoro-5-(7-fluoro-5-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline
PubChem CID156557132
Molecular FormulaC19H15F2N5
Molecular Weight351.36 g/mol
Exact Mass351.13
IUPAC Name7-fluoro-5-(7-fluoro-5-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline
SMILESCc1cc(F)cc2c1CCCN2c1nc2nncn2c2ccc(F)cc12
InChIInChI=1S/C19H15F2N5/c1-11-7-13(21)9-17-14(11)3-2-6-25(17)18-15-8-12(20)4-5-16(15)26-10-22-24-19(26)23-18/h4-5,7-10H,2-3,6H2,1H3
InChIKeyBNOOMYLYJLSIBA-UHFFFAOYSA-N
XLogP3.95
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

4-[1-(7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-3,4-dihydro-2H-1,7-naphthyridin-5-yl]-2-methylbutan-2-ol
CID 156557348
8-bromo-4-(7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-2,3-dihydro-1,4-benzoxazine
CID 156537464
5-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-6,8-difluoro-[1,2,4]triazolo[4,3-a]quinazoline
CID 156536598
7-fluoro-5-[7-fluoro-5-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinazoline
CID 156557717
6,7-difluoro-5-(6-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline;1,1,1-trifluoro-2,2-dimethylpropane
CID 156800222
5-[5-(3,3-dimethylbut-1-ynyl)-3,4-dihydro-2H-quinolin-1-yl]-6-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;bis(8-(3,3-dimethylbut-1-ynyl)-4-(7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-2,3-dihydro-1,4-benzoxazine);6-fluoro-5-[5-[2-(1-methylcyclopropyl)ethynyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline
CID 167593756
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-[1-(7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-3,4-dihydro-2H-1,7-naphthyridin-5-yl]-2-methylbut-3-yn-2-ol
CID 175790124
5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline
CID 156537559
1-ethanimidoyl-6-fluoro-4-(5-methyl-3,4-dihydro-2H-quinolin-1-yl)quinazolin-2-imine
CID 156800234
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
5-[5-[2-[1-(difluoromethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazoline
CID 156536847

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-(7-fluoro-5-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline?
The IUPAC name of 7-fluoro-5-(7-fluoro-5-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline (CID 156557132) is 7-fluoro-5-(7-fluoro-5-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline.
What is the SMILES notation for 7-fluoro-5-(7-fluoro-5-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline?
The canonical SMILES for 7-fluoro-5-(7-fluoro-5-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline is Cc1cc(F)cc2c1CCCN2c1nc2nncn2c2ccc(F)cc12.
What is the InChIKey of 7-fluoro-5-(7-fluoro-5-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline?
The InChIKey is BNOOMYLYJLSIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5/c1-11-7-13(21)9-17-14(11)3-2-6-25(17)18-15-8-12(20)4-5-16(15)26-10-22-24-19(26)23-18/h4-5,7-10H,2-3,6H2,1H3.
What are the key properties of 7-fluoro-5-(7-fluoro-5-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline?
7-fluoro-5-(7-fluoro-5-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline has a molecular weight of 351.36 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-(7-fluoro-5-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline is sourced from PubChem (CID 156557132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).