2-[4-(1-benzylcyclopropyl)phenyl]-5-chloro-3-phenyl-1,6-naphthyridine

C30H23ClN2 — CID 87561536

IUPAC2-[4-(1-benzylcyclopropyl)phenyl]-5-chloro-3-phenyl-1,6-naphthyridine
SMILESClc1nccc2nc(-c3ccc(C4(Cc5ccccc5)CC4)cc3)c(-c3ccccc3)cc12
InChIInChI=1S/C30H23ClN2/c31-29-26-19-25(22-9-5-2-6-10-22)28(33-27(26)15-18-32-29)23-11-13-24(14-12-23)30(16-17-30)20-21-7-3-1-4-8-21/h1-15,18-19H,16-17,20H2
InChIKeyRTAATZOPHWTEMZ-UHFFFAOYSA-N
MW446.98 g/mol
LogP7.89
Rot. Bonds5

About 2-[4-(1-benzylcyclopropyl)phenyl]-5-chloro-3-phenyl-1,6-naphthyridine

2-[4-(1-benzylcyclopropyl)phenyl]-5-chloro-3-phenyl-1,6-naphthyridine (PubChem CID 87561536) has the molecular formula C30H23ClN2 and a molecular weight of 446.98 g/mol. Its IUPAC name is 2-[4-(1-benzylcyclopropyl)phenyl]-5-chloro-3-phenyl-1,6-naphthyridine.

Molecular Properties

Compound Name2-[4-(1-benzylcyclopropyl)phenyl]-5-chloro-3-phenyl-1,6-naphthyridine
PubChem CID87561536
Molecular FormulaC30H23ClN2
Molecular Weight446.98 g/mol
Exact Mass446.15
IUPAC Name2-[4-(1-benzylcyclopropyl)phenyl]-5-chloro-3-phenyl-1,6-naphthyridine
SMILESClc1nccc2nc(-c3ccc(C4(Cc5ccccc5)CC4)cc3)c(-c3ccccc3)cc12
InChIInChI=1S/C30H23ClN2/c31-29-26-19-25(22-9-5-2-6-10-22)28(33-27(26)15-18-32-29)23-11-13-24(14-12-23)30(16-17-30)20-21-7-3-1-4-8-21/h1-15,18-19H,16-17,20H2
InChIKeyRTAATZOPHWTEMZ-UHFFFAOYSA-N
XLogP7.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.98
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[4-(1-benzylcyclopropyl)phenyl]-5-chloro-3-phenyl-1,6-naphthyridine 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-(1-benzylcyclopropyl)phenyl]-5-chloro-3-phenyl-1,6-naphthyridine?
The IUPAC name of 2-[4-(1-benzylcyclopropyl)phenyl]-5-chloro-3-phenyl-1,6-naphthyridine (CID 87561536) is 2-[4-(1-benzylcyclopropyl)phenyl]-5-chloro-3-phenyl-1,6-naphthyridine.
What is the SMILES notation for 2-[4-(1-benzylcyclopropyl)phenyl]-5-chloro-3-phenyl-1,6-naphthyridine?
The canonical SMILES for 2-[4-(1-benzylcyclopropyl)phenyl]-5-chloro-3-phenyl-1,6-naphthyridine is Clc1nccc2nc(-c3ccc(C4(Cc5ccccc5)CC4)cc3)c(-c3ccccc3)cc12.
What is the InChIKey of 2-[4-(1-benzylcyclopropyl)phenyl]-5-chloro-3-phenyl-1,6-naphthyridine?
The InChIKey is RTAATZOPHWTEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23ClN2/c31-29-26-19-25(22-9-5-2-6-10-22)28(33-27(26)15-18-32-29)23-11-13-24(14-12-23)30(16-17-30)20-21-7-3-1-4-8-21/h1-15,18-19H,16-17,20H2.
What are the key properties of 2-[4-(1-benzylcyclopropyl)phenyl]-5-chloro-3-phenyl-1,6-naphthyridine?
2-[4-(1-benzylcyclopropyl)phenyl]-5-chloro-3-phenyl-1,6-naphthyridine has a molecular weight of 446.98 g/mol, XLogP of 7.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-benzylcyclopropyl)phenyl]-5-chloro-3-phenyl-1,6-naphthyridine is sourced from PubChem (CID 87561536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).