2-[4-(6-chloro-3-phenyl-1,5-naphthyridin-2-yl)phenyl]propan-2-amine

C23H20ClN3 — CID 173471868

IUPAC2-[4-(6-chloro-3-phenyl-1,5-naphthyridin-2-yl)phenyl]propan-2-amine
SMILESCC(C)(N)c1ccc(-c2nc3ccc(Cl)nc3cc2-c2ccccc2)cc1
InChIInChI=1S/C23H20ClN3/c1-23(2,25)17-10-8-16(9-11-17)22-18(15-6-4-3-5-7-15)14-20-19(27-22)12-13-21(24)26-20/h3-14H,25H2,1-2H3
InChIKeyUNKXYIVQRAWQDP-UHFFFAOYSA-N
MW373.89 g/mol
LogP5.81
Rot. Bonds3

About 2-[4-(6-chloro-3-phenyl-1,5-naphthyridin-2-yl)phenyl]propan-2-amine

2-[4-(6-chloro-3-phenyl-1,5-naphthyridin-2-yl)phenyl]propan-2-amine (PubChem CID 173471868) has the molecular formula C23H20ClN3 and a molecular weight of 373.89 g/mol. Its IUPAC name is 2-[4-(6-chloro-3-phenyl-1,5-naphthyridin-2-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name2-[4-(6-chloro-3-phenyl-1,5-naphthyridin-2-yl)phenyl]propan-2-amine
PubChem CID173471868
Molecular FormulaC23H20ClN3
Molecular Weight373.89 g/mol
Exact Mass373.13
IUPAC Name2-[4-(6-chloro-3-phenyl-1,5-naphthyridin-2-yl)phenyl]propan-2-amine
SMILESCC(C)(N)c1ccc(-c2nc3ccc(Cl)nc3cc2-c2ccccc2)cc1
InChIInChI=1S/C23H20ClN3/c1-23(2,25)17-10-8-16(9-11-17)22-18(15-6-4-3-5-7-15)14-20-19(27-22)12-13-21(24)26-20/h3-14H,25H2,1-2H3
InChIKeyUNKXYIVQRAWQDP-UHFFFAOYSA-N
XLogP5.81
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.89
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-(6-chloro-3-phenyl-1,5-naphthyridin-2-yl)phenyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-chloro-3-phenyl-1,5-naphthyridin-2-yl)phenyl]propan-2-amine?
The IUPAC name of 2-[4-(6-chloro-3-phenyl-1,5-naphthyridin-2-yl)phenyl]propan-2-amine (CID 173471868) is 2-[4-(6-chloro-3-phenyl-1,5-naphthyridin-2-yl)phenyl]propan-2-amine.
What is the SMILES notation for 2-[4-(6-chloro-3-phenyl-1,5-naphthyridin-2-yl)phenyl]propan-2-amine?
The canonical SMILES for 2-[4-(6-chloro-3-phenyl-1,5-naphthyridin-2-yl)phenyl]propan-2-amine is CC(C)(N)c1ccc(-c2nc3ccc(Cl)nc3cc2-c2ccccc2)cc1.
What is the InChIKey of 2-[4-(6-chloro-3-phenyl-1,5-naphthyridin-2-yl)phenyl]propan-2-amine?
The InChIKey is UNKXYIVQRAWQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3/c1-23(2,25)17-10-8-16(9-11-17)22-18(15-6-4-3-5-7-15)14-20-19(27-22)12-13-21(24)26-20/h3-14H,25H2,1-2H3.
What are the key properties of 2-[4-(6-chloro-3-phenyl-1,5-naphthyridin-2-yl)phenyl]propan-2-amine?
2-[4-(6-chloro-3-phenyl-1,5-naphthyridin-2-yl)phenyl]propan-2-amine has a molecular weight of 373.89 g/mol, XLogP of 5.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-chloro-3-phenyl-1,5-naphthyridin-2-yl)phenyl]propan-2-amine is sourced from PubChem (CID 173471868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).