2-(5-chloro-2-fluorophenyl)-4-(1-methyl-2,7-naphthyridin-4-yl)-1,8-naphthyridine

C23H14ClFN4 — CID 146407818

IUPAC2-(5-chloro-2-fluorophenyl)-4-(1-methyl-2,7-naphthyridin-4-yl)-1,8-naphthyridine
SMILESCc1ncc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccncc12
InChIInChI=1S/C23H14ClFN4/c1-13-19-11-26-8-6-15(19)20(12-28-13)17-10-22(18-9-14(24)4-5-21(18)25)29-23-16(17)3-2-7-27-23/h2-12H,1H3
InChIKeyAAMAGTSYUOVAJC-UHFFFAOYSA-N
MW400.84 g/mol
LogP6.01
Rot. Bonds2

About 2-(5-chloro-2-fluorophenyl)-4-(1-methyl-2,7-naphthyridin-4-yl)-1,8-naphthyridine

2-(5-chloro-2-fluorophenyl)-4-(1-methyl-2,7-naphthyridin-4-yl)-1,8-naphthyridine (PubChem CID 146407818) has the molecular formula C23H14ClFN4 and a molecular weight of 400.84 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-4-(1-methyl-2,7-naphthyridin-4-yl)-1,8-naphthyridine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-4-(1-methyl-2,7-naphthyridin-4-yl)-1,8-naphthyridine
PubChem CID146407818
Molecular FormulaC23H14ClFN4
Molecular Weight400.84 g/mol
Exact Mass400.09
IUPAC Name2-(5-chloro-2-fluorophenyl)-4-(1-methyl-2,7-naphthyridin-4-yl)-1,8-naphthyridine
SMILESCc1ncc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccncc12
InChIInChI=1S/C23H14ClFN4/c1-13-19-11-26-8-6-15(19)20(12-28-13)17-10-22(18-9-14(24)4-5-21(18)25)29-23-16(17)3-2-7-27-23/h2-12H,1H3
InChIKeyAAMAGTSYUOVAJC-UHFFFAOYSA-N
XLogP6.01
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.84
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-(1-methyl-2,7-naphthyridin-4-yl)-1,8-naphthyridine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-(1-methyl-2,7-naphthyridin-4-yl)-1,8-naphthyridine (CID 146407818) is 2-(5-chloro-2-fluorophenyl)-4-(1-methyl-2,7-naphthyridin-4-yl)-1,8-naphthyridine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-4-(1-methyl-2,7-naphthyridin-4-yl)-1,8-naphthyridine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-4-(1-methyl-2,7-naphthyridin-4-yl)-1,8-naphthyridine is Cc1ncc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccncc12.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-4-(1-methyl-2,7-naphthyridin-4-yl)-1,8-naphthyridine?
The InChIKey is AAMAGTSYUOVAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClFN4/c1-13-19-11-26-8-6-15(19)20(12-28-13)17-10-22(18-9-14(24)4-5-21(18)25)29-23-16(17)3-2-7-27-23/h2-12H,1H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-4-(1-methyl-2,7-naphthyridin-4-yl)-1,8-naphthyridine?
2-(5-chloro-2-fluorophenyl)-4-(1-methyl-2,7-naphthyridin-4-yl)-1,8-naphthyridine has a molecular weight of 400.84 g/mol, XLogP of 6.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-4-(1-methyl-2,7-naphthyridin-4-yl)-1,8-naphthyridine is sourced from PubChem (CID 146407818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).