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

C19H15ClFN5 — CID 156536937

IUPAC8-chloro-7-fluoro-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline
SMILESCC1CCc2ccccc2N1c1nc2nncn2c2cc(Cl)c(F)cc12
InChIInChI=1S/C19H15ClFN5/c1-11-6-7-12-4-2-3-5-16(12)26(11)18-13-8-15(21)14(20)9-17(13)25-10-22-24-19(25)23-18/h2-5,8-11H,6-7H2,1H3
InChIKeyBBCHEPUEADFTNH-UHFFFAOYSA-N
MW367.82 g/mol
LogP4.54
Rot. Bonds1

About 8-chloro-7-fluoro-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline

8-chloro-7-fluoro-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline (PubChem CID 156536937) has the molecular formula C19H15ClFN5 and a molecular weight of 367.82 g/mol. Its IUPAC name is 8-chloro-7-fluoro-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline.

Molecular Properties

Compound Name8-chloro-7-fluoro-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline
PubChem CID156536937
Molecular FormulaC19H15ClFN5
Molecular Weight367.82 g/mol
Exact Mass367.10
IUPAC Name8-chloro-7-fluoro-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline
SMILESCC1CCc2ccccc2N1c1nc2nncn2c2cc(Cl)c(F)cc12
InChIInChI=1S/C19H15ClFN5/c1-11-6-7-12-4-2-3-5-16(12)26(11)18-13-8-15(21)14(20)9-17(13)25-10-22-24-19(25)23-18/h2-5,8-11H,6-7H2,1H3
InChIKeyBBCHEPUEADFTNH-UHFFFAOYSA-N
XLogP4.54
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.82
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-fluoro-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline?
The IUPAC name of 8-chloro-7-fluoro-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline (CID 156536937) is 8-chloro-7-fluoro-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline.
What is the SMILES notation for 8-chloro-7-fluoro-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline?
The canonical SMILES for 8-chloro-7-fluoro-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline is CC1CCc2ccccc2N1c1nc2nncn2c2cc(Cl)c(F)cc12.
What is the InChIKey of 8-chloro-7-fluoro-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline?
The InChIKey is BBCHEPUEADFTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN5/c1-11-6-7-12-4-2-3-5-16(12)26(11)18-13-8-15(21)14(20)9-17(13)25-10-22-24-19(25)23-18/h2-5,8-11H,6-7H2,1H3.
What are the key properties of 8-chloro-7-fluoro-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline?
8-chloro-7-fluoro-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline has a molecular weight of 367.82 g/mol, XLogP of 4.54, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-fluoro-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline is sourced from PubChem (CID 156536937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).