N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-1,5-naphthyridin-4-amine

C23H14ClFN4 — CID 70660136

IUPACN-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-1,5-naphthyridin-4-amine
SMILESFc1ccc(Cl)cc1-c1cc(Nc2ccnc3cccnc23)c2ccccc2n1
InChIInChI=1S/C23H14ClFN4/c24-14-7-8-17(25)16(12-14)22-13-21(15-4-1-2-5-18(15)28-22)29-20-9-11-26-19-6-3-10-27-23(19)20/h1-13H,(H,26,28,29)
InChIKeyARFATXIOWPDHLZ-UHFFFAOYSA-N
MW400.84 g/mol
LogP6.38
Rot. Bonds3

About N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-1,5-naphthyridin-4-amine

N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-1,5-naphthyridin-4-amine (PubChem CID 70660136) has the molecular formula C23H14ClFN4 and a molecular weight of 400.84 g/mol. Its IUPAC name is N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-1,5-naphthyridin-4-amine.

Molecular Properties

Compound NameN-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-1,5-naphthyridin-4-amine
PubChem CID70660136
Molecular FormulaC23H14ClFN4
Molecular Weight400.84 g/mol
Exact Mass400.09
IUPAC NameN-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-1,5-naphthyridin-4-amine
SMILESFc1ccc(Cl)cc1-c1cc(Nc2ccnc3cccnc23)c2ccccc2n1
InChIInChI=1S/C23H14ClFN4/c24-14-7-8-17(25)16(12-14)22-13-21(15-4-1-2-5-18(15)28-22)29-20-9-11-26-19-6-3-10-27-23(19)20/h1-13H,(H,26,28,29)
InChIKeyARFATXIOWPDHLZ-UHFFFAOYSA-N
XLogP6.38
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.84
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-1,5-naphthyridin-4-amine?
The IUPAC name of N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-1,5-naphthyridin-4-amine (CID 70660136) is N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-1,5-naphthyridin-4-amine.
What is the SMILES notation for N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-1,5-naphthyridin-4-amine?
The canonical SMILES for N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-1,5-naphthyridin-4-amine is Fc1ccc(Cl)cc1-c1cc(Nc2ccnc3cccnc23)c2ccccc2n1.
What is the InChIKey of N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-1,5-naphthyridin-4-amine?
The InChIKey is ARFATXIOWPDHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClFN4/c24-14-7-8-17(25)16(12-14)22-13-21(15-4-1-2-5-18(15)28-22)29-20-9-11-26-19-6-3-10-27-23(19)20/h1-13H,(H,26,28,29).
What are the key properties of N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-1,5-naphthyridin-4-amine?
N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-1,5-naphthyridin-4-amine has a molecular weight of 400.84 g/mol, XLogP of 6.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-1,5-naphthyridin-4-amine is sourced from PubChem (CID 70660136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).