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

C18H13ClFN5 — CID 156536492

IUPAC8-chloro-5-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline
SMILESFc1cccc2c1CCCN2c1nc2nncn2c2cc(Cl)ccc12
InChIInChI=1S/C18H13ClFN5/c19-11-6-7-13-16(9-11)25-10-21-23-18(25)22-17(13)24-8-2-3-12-14(20)4-1-5-15(12)24/h1,4-7,9-10H,2-3,8H2
InChIKeyOVPCGQPZAAWARB-UHFFFAOYSA-N
MW353.79 g/mol
LogP4.15
Rot. Bonds1

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

8-chloro-5-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline (PubChem CID 156536492) has the molecular formula C18H13ClFN5 and a molecular weight of 353.79 g/mol. Its IUPAC name is 8-chloro-5-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline.

Molecular Properties

Compound Name8-chloro-5-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline
PubChem CID156536492
Molecular FormulaC18H13ClFN5
Molecular Weight353.79 g/mol
Exact Mass353.08
IUPAC Name8-chloro-5-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline
SMILESFc1cccc2c1CCCN2c1nc2nncn2c2cc(Cl)ccc12
InChIInChI=1S/C18H13ClFN5/c19-11-6-7-13-16(9-11)25-10-21-23-18(25)22-17(13)24-8-2-3-12-14(20)4-1-5-15(12)24/h1,4-7,9-10H,2-3,8H2
InChIKeyOVPCGQPZAAWARB-UHFFFAOYSA-N
XLogP4.15
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.79
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline?
The IUPAC name of 8-chloro-5-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline (CID 156536492) is 8-chloro-5-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline.
What is the SMILES notation for 8-chloro-5-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline?
The canonical SMILES for 8-chloro-5-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline is Fc1cccc2c1CCCN2c1nc2nncn2c2cc(Cl)ccc12.
What is the InChIKey of 8-chloro-5-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline?
The InChIKey is OVPCGQPZAAWARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN5/c19-11-6-7-13-16(9-11)25-10-21-23-18(25)22-17(13)24-8-2-3-12-14(20)4-1-5-15(12)24/h1,4-7,9-10H,2-3,8H2.
What are the key properties of 8-chloro-5-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline?
8-chloro-5-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline has a molecular weight of 353.79 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline is sourced from PubChem (CID 156536492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).