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

C19H17ClFN5 — CID 156800658

IUPAC8-chloro-7-fluoro-5-(5-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinazoline
SMILESCc1cccc2c1CCCN2C1=NC2=NNCN2c2cc(Cl)c(F)cc21
InChIInChI=1S/C19H17ClFN5/c1-11-4-2-6-16-12(11)5-3-7-25(16)18-13-8-15(21)14(20)9-17(13)26-10-22-24-19(26)23-18/h2,4,6,8-9,22H,3,5,7,10H2,1H3
InChIKeyOIXVCNDYTOOBNP-UHFFFAOYSA-N
MW369.83 g/mol
LogP3.64
Rot. Bonds

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

8-chloro-7-fluoro-5-(5-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinazoline (PubChem CID 156800658) has the molecular formula C19H17ClFN5 and a molecular weight of 369.83 g/mol. Its IUPAC name is 8-chloro-7-fluoro-5-(5-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinazoline.

Molecular Properties

Compound Name8-chloro-7-fluoro-5-(5-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinazoline
PubChem CID156800658
Molecular FormulaC19H17ClFN5
Molecular Weight369.83 g/mol
Exact Mass369.12
IUPAC Name8-chloro-7-fluoro-5-(5-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinazoline
SMILESCc1cccc2c1CCCN2C1=NC2=NNCN2c2cc(Cl)c(F)cc21
InChIInChI=1S/C19H17ClFN5/c1-11-4-2-6-16-12(11)5-3-7-25(16)18-13-8-15(21)14(20)9-17(13)26-10-22-24-19(26)23-18/h2,4,6,8-9,22H,3,5,7,10H2,1H3
InChIKeyOIXVCNDYTOOBNP-UHFFFAOYSA-N
XLogP3.64
TPSA43.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-fluoro-5-(5-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinazoline?
The IUPAC name of 8-chloro-7-fluoro-5-(5-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinazoline (CID 156800658) is 8-chloro-7-fluoro-5-(5-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinazoline.
What is the SMILES notation for 8-chloro-7-fluoro-5-(5-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinazoline?
The canonical SMILES for 8-chloro-7-fluoro-5-(5-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinazoline is Cc1cccc2c1CCCN2C1=NC2=NNCN2c2cc(Cl)c(F)cc21.
What is the InChIKey of 8-chloro-7-fluoro-5-(5-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinazoline?
The InChIKey is OIXVCNDYTOOBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN5/c1-11-4-2-6-16-12(11)5-3-7-25(16)18-13-8-15(21)14(20)9-17(13)26-10-22-24-19(26)23-18/h2,4,6,8-9,22H,3,5,7,10H2,1H3.
What are the key properties of 8-chloro-7-fluoro-5-(5-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinazoline?
8-chloro-7-fluoro-5-(5-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinazoline has a molecular weight of 369.83 g/mol, XLogP of 3.64, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-fluoro-5-(5-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinazoline is sourced from PubChem (CID 156800658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).