2-(5-chloro-2-fluorophenyl)-4-[1-(2-methoxyethyl)indol-3-yl]-1,8-naphthyridine

C25H19ClFN3O — CID 56591665

IUPAC2-(5-chloro-2-fluorophenyl)-4-[1-(2-methoxyethyl)indol-3-yl]-1,8-naphthyridine
SMILESCOCCn1cc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccccc21
InChIInChI=1S/C25H19ClFN3O/c1-31-12-11-30-15-21(17-5-2-3-7-24(17)30)19-14-23(20-13-16(26)8-9-22(20)27)29-25-18(19)6-4-10-28-25/h2-10,13-15H,11-12H2,1H3
InChIKeyOBZSAMFZGFGPNT-UHFFFAOYSA-N
MW431.90 g/mol
LogP6.36
Rot. Bonds5

About 2-(5-chloro-2-fluorophenyl)-4-[1-(2-methoxyethyl)indol-3-yl]-1,8-naphthyridine

2-(5-chloro-2-fluorophenyl)-4-[1-(2-methoxyethyl)indol-3-yl]-1,8-naphthyridine (PubChem CID 56591665) has the molecular formula C25H19ClFN3O and a molecular weight of 431.90 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-4-[1-(2-methoxyethyl)indol-3-yl]-1,8-naphthyridine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-4-[1-(2-methoxyethyl)indol-3-yl]-1,8-naphthyridine
PubChem CID56591665
Molecular FormulaC25H19ClFN3O
Molecular Weight431.90 g/mol
Exact Mass431.12
IUPAC Name2-(5-chloro-2-fluorophenyl)-4-[1-(2-methoxyethyl)indol-3-yl]-1,8-naphthyridine
SMILESCOCCn1cc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccccc21
InChIInChI=1S/C25H19ClFN3O/c1-31-12-11-30-15-21(17-5-2-3-7-24(17)30)19-14-23(20-13-16(26)8-9-22(20)27)29-25-18(19)6-4-10-28-25/h2-10,13-15H,11-12H2,1H3
InChIKeyOBZSAMFZGFGPNT-UHFFFAOYSA-N
XLogP6.36
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.90
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-[1-(2-methoxyethyl)indol-3-yl]-1,8-naphthyridine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-[1-(2-methoxyethyl)indol-3-yl]-1,8-naphthyridine (CID 56591665) is 2-(5-chloro-2-fluorophenyl)-4-[1-(2-methoxyethyl)indol-3-yl]-1,8-naphthyridine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-4-[1-(2-methoxyethyl)indol-3-yl]-1,8-naphthyridine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-4-[1-(2-methoxyethyl)indol-3-yl]-1,8-naphthyridine is COCCn1cc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccccc21.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-4-[1-(2-methoxyethyl)indol-3-yl]-1,8-naphthyridine?
The InChIKey is OBZSAMFZGFGPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClFN3O/c1-31-12-11-30-15-21(17-5-2-3-7-24(17)30)19-14-23(20-13-16(26)8-9-22(20)27)29-25-18(19)6-4-10-28-25/h2-10,13-15H,11-12H2,1H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-4-[1-(2-methoxyethyl)indol-3-yl]-1,8-naphthyridine?
2-(5-chloro-2-fluorophenyl)-4-[1-(2-methoxyethyl)indol-3-yl]-1,8-naphthyridine has a molecular weight of 431.90 g/mol, XLogP of 6.36, 5 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-(2-methoxyethyl)indol-3-yl]-1,8-naphthyridine is sourced from PubChem (CID 56591665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).