8-chloro-10-(2-fluorophenyl)-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine

C18H14ClFN2 — CID 5136482

IUPAC8-chloro-10-(2-fluorophenyl)-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine
SMILESFc1ccccc1-c1c2c(nc3ccc(Cl)cc13)CCNC2
InChIInChI=1S/C18H14ClFN2/c19-11-5-6-16-13(9-11)18(12-3-1-2-4-15(12)20)14-10-21-8-7-17(14)22-16/h1-6,9,21H,7-8,10H2
InChIKeyZUFNUXNRGNOBRX-UHFFFAOYSA-N
MW312.78 g/mol
LogP4.34
Rot. Bonds1

About 8-chloro-10-(2-fluorophenyl)-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine

8-chloro-10-(2-fluorophenyl)-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine (PubChem CID 5136482) has the molecular formula C18H14ClFN2 and a molecular weight of 312.78 g/mol. Its IUPAC name is 8-chloro-10-(2-fluorophenyl)-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine.

Molecular Properties

Compound Name8-chloro-10-(2-fluorophenyl)-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine
PubChem CID5136482
Molecular FormulaC18H14ClFN2
Molecular Weight312.78 g/mol
Exact Mass312.08
IUPAC Name8-chloro-10-(2-fluorophenyl)-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine
SMILESFc1ccccc1-c1c2c(nc3ccc(Cl)cc13)CCNC2
InChIInChI=1S/C18H14ClFN2/c19-11-5-6-16-13(9-11)18(12-3-1-2-4-15(12)20)14-10-21-8-7-17(14)22-16/h1-6,9,21H,7-8,10H2
InChIKeyZUFNUXNRGNOBRX-UHFFFAOYSA-N
XLogP4.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-10-(2-fluorophenyl)-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine?
The IUPAC name of 8-chloro-10-(2-fluorophenyl)-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine (CID 5136482) is 8-chloro-10-(2-fluorophenyl)-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine.
What is the SMILES notation for 8-chloro-10-(2-fluorophenyl)-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine?
The canonical SMILES for 8-chloro-10-(2-fluorophenyl)-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine is Fc1ccccc1-c1c2c(nc3ccc(Cl)cc13)CCNC2.
What is the InChIKey of 8-chloro-10-(2-fluorophenyl)-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine?
The InChIKey is ZUFNUXNRGNOBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2/c19-11-5-6-16-13(9-11)18(12-3-1-2-4-15(12)20)14-10-21-8-7-17(14)22-16/h1-6,9,21H,7-8,10H2.
What are the key properties of 8-chloro-10-(2-fluorophenyl)-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine?
8-chloro-10-(2-fluorophenyl)-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine has a molecular weight of 312.78 g/mol, XLogP of 4.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-10-(2-fluorophenyl)-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine is sourced from PubChem (CID 5136482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).