4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(3-hydroxypropyl)-2,7-naphthyridin-1-one

C25H18ClFN4O2 — CID 56592465

IUPAC4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(3-hydroxypropyl)-2,7-naphthyridin-1-one
SMILESO=c1c2cnccc2c(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)cn1CCCO
InChIInChI=1S/C25H18ClFN4O2/c26-15-4-5-22(27)19(11-15)23-12-18(17-3-1-7-29-24(17)30-23)21-14-31(9-2-10-32)25(33)20-13-28-8-6-16(20)21/h1,3-8,11-14,32H,2,9-10H2
InChIKeyFMFKWJXVFBFJMN-UHFFFAOYSA-N
MW460.90 g/mol
LogP4.85
Rot. Bonds5

About 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(3-hydroxypropyl)-2,7-naphthyridin-1-one

4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(3-hydroxypropyl)-2,7-naphthyridin-1-one (PubChem CID 56592465) has the molecular formula C25H18ClFN4O2 and a molecular weight of 460.90 g/mol. Its IUPAC name is 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(3-hydroxypropyl)-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(3-hydroxypropyl)-2,7-naphthyridin-1-one
PubChem CID56592465
Molecular FormulaC25H18ClFN4O2
Molecular Weight460.90 g/mol
Exact Mass460.11
IUPAC Name4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(3-hydroxypropyl)-2,7-naphthyridin-1-one
SMILESO=c1c2cnccc2c(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)cn1CCCO
InChIInChI=1S/C25H18ClFN4O2/c26-15-4-5-22(27)19(11-15)23-12-18(17-3-1-7-29-24(17)30-23)21-14-31(9-2-10-32)25(33)20-13-28-8-6-16(20)21/h1,3-8,11-14,32H,2,9-10H2
InChIKeyFMFKWJXVFBFJMN-UHFFFAOYSA-N
XLogP4.85
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.90
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(3-hydroxypropyl)-2,7-naphthyridin-1-one?
The IUPAC name of 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(3-hydroxypropyl)-2,7-naphthyridin-1-one (CID 56592465) is 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(3-hydroxypropyl)-2,7-naphthyridin-1-one.
What is the SMILES notation for 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(3-hydroxypropyl)-2,7-naphthyridin-1-one?
The canonical SMILES for 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(3-hydroxypropyl)-2,7-naphthyridin-1-one is O=c1c2cnccc2c(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)cn1CCCO.
What is the InChIKey of 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(3-hydroxypropyl)-2,7-naphthyridin-1-one?
The InChIKey is FMFKWJXVFBFJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClFN4O2/c26-15-4-5-22(27)19(11-15)23-12-18(17-3-1-7-29-24(17)30-23)21-14-31(9-2-10-32)25(33)20-13-28-8-6-16(20)21/h1,3-8,11-14,32H,2,9-10H2.
What are the key properties of 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(3-hydroxypropyl)-2,7-naphthyridin-1-one?
4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(3-hydroxypropyl)-2,7-naphthyridin-1-one has a molecular weight of 460.90 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(3-hydroxypropyl)-2,7-naphthyridin-1-one is sourced from PubChem (CID 56592465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).