3-(5-amino-2-chloro-4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-1,6-naphthyridin-7-amine

C23H20ClFN4O — CID 167511897

IUPAC3-(5-amino-2-chloro-4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-1,6-naphthyridin-7-amine
SMILESCOc1ccc(CN(C)c2cc3ncc(-c4cc(N)c(F)cc4Cl)cc3cn2)cc1
InChIInChI=1S/C23H20ClFN4O/c1-29(13-14-3-5-17(30-2)6-4-14)23-10-22-16(12-28-23)7-15(11-27-22)18-8-21(26)20(25)9-19(18)24/h3-12H,13,26H2,1-2H3
InChIKeyJSBZHLPXGJTIOT-UHFFFAOYSA-N
MW422.89 g/mol
LogP5.32
Rot. Bonds5

About 3-(5-amino-2-chloro-4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-1,6-naphthyridin-7-amine

3-(5-amino-2-chloro-4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-1,6-naphthyridin-7-amine (PubChem CID 167511897) has the molecular formula C23H20ClFN4O and a molecular weight of 422.89 g/mol. Its IUPAC name is 3-(5-amino-2-chloro-4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-1,6-naphthyridin-7-amine.

Molecular Properties

Compound Name3-(5-amino-2-chloro-4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-1,6-naphthyridin-7-amine
PubChem CID167511897
Molecular FormulaC23H20ClFN4O
Molecular Weight422.89 g/mol
Exact Mass422.13
IUPAC Name3-(5-amino-2-chloro-4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-1,6-naphthyridin-7-amine
SMILESCOc1ccc(CN(C)c2cc3ncc(-c4cc(N)c(F)cc4Cl)cc3cn2)cc1
InChIInChI=1S/C23H20ClFN4O/c1-29(13-14-3-5-17(30-2)6-4-14)23-10-22-16(12-28-23)7-15(11-27-22)18-8-21(26)20(25)9-19(18)24/h3-12H,13,26H2,1-2H3
InChIKeyJSBZHLPXGJTIOT-UHFFFAOYSA-N
XLogP5.32
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.89
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-2-chloro-4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-1,6-naphthyridin-7-amine?
The IUPAC name of 3-(5-amino-2-chloro-4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-1,6-naphthyridin-7-amine (CID 167511897) is 3-(5-amino-2-chloro-4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-1,6-naphthyridin-7-amine.
What is the SMILES notation for 3-(5-amino-2-chloro-4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-1,6-naphthyridin-7-amine?
The canonical SMILES for 3-(5-amino-2-chloro-4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-1,6-naphthyridin-7-amine is COc1ccc(CN(C)c2cc3ncc(-c4cc(N)c(F)cc4Cl)cc3cn2)cc1.
What is the InChIKey of 3-(5-amino-2-chloro-4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-1,6-naphthyridin-7-amine?
The InChIKey is JSBZHLPXGJTIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN4O/c1-29(13-14-3-5-17(30-2)6-4-14)23-10-22-16(12-28-23)7-15(11-27-22)18-8-21(26)20(25)9-19(18)24/h3-12H,13,26H2,1-2H3.
What are the key properties of 3-(5-amino-2-chloro-4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-1,6-naphthyridin-7-amine?
3-(5-amino-2-chloro-4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-1,6-naphthyridin-7-amine has a molecular weight of 422.89 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-2-chloro-4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-1,6-naphthyridin-7-amine is sourced from PubChem (CID 167511897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).