4-(4-chlorophenyl)-N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]phthalazin-1-amine

C29H19ClFN5O2 — CID 90114060

About 4-(4-chlorophenyl)-N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]phthalazin-1-amine

4-(4-chlorophenyl)-N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]phthalazin-1-amine (PubChem CID 90114060) has the molecular formula C29H19ClFN5O2 and a molecular weight of 523.96 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]phthalazin-1-amine.

Molecular Properties

• Compound Name: 4-(4-chlorophenyl)-N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]phthalazin-1-amine
• PubChem CID: 90114060
• Molecular Formula: C29H19ClFN5O2
• Molecular Weight: 523.96 g/mol
• Exact Mass: 523.12
• IUPAC Name: 4-(4-chlorophenyl)-N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]phthalazin-1-amine
• SMILES: COc1cnc2c(Oc3ccc(Nc4nnc(-c5ccc(Cl)cc5)c5ccccc45)cc3F)ccnc2c1
• InChI: InChI=1S/C29H19ClFN5O2/c1-37-20-15-24-28(33-16-20)26(12-13-32-24)38-25-11-10-19(14-23(25)31)34-29-22-5-3-2-4-21(22)27(35-36-29)17-6-8-18(30)9-7-17/h2-16H,1H3,(H,34,36)
• InChIKey: PEZDHWGBQDGZFI-UHFFFAOYSA-N
• XLogP: 7.58
• TPSA: 82.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.96
LogP ≤ 5	7.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]phthalazin-1-amine?

The IUPAC name of 4-(4-chlorophenyl)-N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]phthalazin-1-amine (CID 90114060) is 4-(4-chlorophenyl)-N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]phthalazin-1-amine.

What is the SMILES notation for 4-(4-chlorophenyl)-N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]phthalazin-1-amine?

The canonical SMILES for 4-(4-chlorophenyl)-N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]phthalazin-1-amine is COc1cnc2c(Oc3ccc(Nc4nnc(-c5ccc(Cl)cc5)c5ccccc45)cc3F)ccnc2c1.

What is the InChIKey of 4-(4-chlorophenyl)-N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]phthalazin-1-amine?

The InChIKey is PEZDHWGBQDGZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19ClFN5O2/c1-37-20-15-24-28(33-16-20)26(12-13-32-24)38-25-11-10-19(14-23(25)31)34-29-22-5-3-2-4-21(22)27(35-36-29)17-6-8-18(30)9-7-17/h2-16H,1H3,(H,34,36).

What are the key properties of 4-(4-chlorophenyl)-N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]phthalazin-1-amine?

4-(4-chlorophenyl)-N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]phthalazin-1-amine has a molecular weight of 523.96 g/mol, XLogP of 7.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-chlorophenyl)-N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]phthalazin-1-amine is sourced from PubChem (CID 90114060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).