7-chloro-3-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)-2,6-naphthyridin-1-amine

C19H17ClFN3O — CID 139396029

IUPAC7-chloro-3-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)-2,6-naphthyridin-1-amine
SMILESFc1ccccc1-c1cc2cnc(Cl)cc2c(NCC2CCCO2)n1
InChIInChI=1S/C19H17ClFN3O/c20-18-9-15-12(10-22-18)8-17(14-5-1-2-6-16(14)21)24-19(15)23-11-13-4-3-7-25-13/h1-2,5-6,8-10,13H,3-4,7,11H2,(H,23,24)
InChIKeyBOSNBAKWGKDGRY-UHFFFAOYSA-N
MW357.82 g/mol
LogP4.68
Rot. Bonds4

About 7-chloro-3-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)-2,6-naphthyridin-1-amine

7-chloro-3-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)-2,6-naphthyridin-1-amine (PubChem CID 139396029) has the molecular formula C19H17ClFN3O and a molecular weight of 357.82 g/mol. Its IUPAC name is 7-chloro-3-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)-2,6-naphthyridin-1-amine.

Molecular Properties

Compound Name7-chloro-3-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)-2,6-naphthyridin-1-amine
PubChem CID139396029
Molecular FormulaC19H17ClFN3O
Molecular Weight357.82 g/mol
Exact Mass357.10
IUPAC Name7-chloro-3-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)-2,6-naphthyridin-1-amine
SMILESFc1ccccc1-c1cc2cnc(Cl)cc2c(NCC2CCCO2)n1
InChIInChI=1S/C19H17ClFN3O/c20-18-9-15-12(10-22-18)8-17(14-5-1-2-6-16(14)21)24-19(15)23-11-13-4-3-7-25-13/h1-2,5-6,8-10,13H,3-4,7,11H2,(H,23,24)
InChIKeyBOSNBAKWGKDGRY-UHFFFAOYSA-N
XLogP4.68
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.82
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)-2,6-naphthyridin-1-amine?
The IUPAC name of 7-chloro-3-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)-2,6-naphthyridin-1-amine (CID 139396029) is 7-chloro-3-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)-2,6-naphthyridin-1-amine.
What is the SMILES notation for 7-chloro-3-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)-2,6-naphthyridin-1-amine?
The canonical SMILES for 7-chloro-3-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)-2,6-naphthyridin-1-amine is Fc1ccccc1-c1cc2cnc(Cl)cc2c(NCC2CCCO2)n1.
What is the InChIKey of 7-chloro-3-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)-2,6-naphthyridin-1-amine?
The InChIKey is BOSNBAKWGKDGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O/c20-18-9-15-12(10-22-18)8-17(14-5-1-2-6-16(14)21)24-19(15)23-11-13-4-3-7-25-13/h1-2,5-6,8-10,13H,3-4,7,11H2,(H,23,24).
What are the key properties of 7-chloro-3-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)-2,6-naphthyridin-1-amine?
7-chloro-3-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)-2,6-naphthyridin-1-amine has a molecular weight of 357.82 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)-2,6-naphthyridin-1-amine is sourced from PubChem (CID 139396029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).