5-chloro-2-(4-cyclopropylphenyl)-3-phenyl-1,6-naphthyridine

C23H17ClN2 — CID 87574586

IUPAC5-chloro-2-(4-cyclopropylphenyl)-3-phenyl-1,6-naphthyridine
SMILESClc1nccc2nc(-c3ccc(C4CC4)cc3)c(-c3ccccc3)cc12
InChIInChI=1S/C23H17ClN2/c24-23-20-14-19(17-4-2-1-3-5-17)22(26-21(20)12-13-25-23)18-10-8-16(9-11-18)15-6-7-15/h1-5,8-15H,6-7H2
InChIKeyBNZYUYPTDDFLNB-UHFFFAOYSA-N
MW356.86 g/mol
LogP6.49
Rot. Bonds3

About 5-chloro-2-(4-cyclopropylphenyl)-3-phenyl-1,6-naphthyridine

5-chloro-2-(4-cyclopropylphenyl)-3-phenyl-1,6-naphthyridine (PubChem CID 87574586) has the molecular formula C23H17ClN2 and a molecular weight of 356.86 g/mol. Its IUPAC name is 5-chloro-2-(4-cyclopropylphenyl)-3-phenyl-1,6-naphthyridine.

Molecular Properties

Compound Name5-chloro-2-(4-cyclopropylphenyl)-3-phenyl-1,6-naphthyridine
PubChem CID87574586
Molecular FormulaC23H17ClN2
Molecular Weight356.86 g/mol
Exact Mass356.11
IUPAC Name5-chloro-2-(4-cyclopropylphenyl)-3-phenyl-1,6-naphthyridine
SMILESClc1nccc2nc(-c3ccc(C4CC4)cc3)c(-c3ccccc3)cc12
InChIInChI=1S/C23H17ClN2/c24-23-20-14-19(17-4-2-1-3-5-17)22(26-21(20)12-13-25-23)18-10-8-16(9-11-18)15-6-7-15/h1-5,8-15H,6-7H2
InChIKeyBNZYUYPTDDFLNB-UHFFFAOYSA-N
XLogP6.49
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.86
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(4-cyclobutylphenyl)-3-(4-fluorophenyl)-1,6-naphthyridine
CID 87585565
2-(4-cyclobutylphenyl)-5-methyl-3-phenyl-1,6-naphthyridine
CID 68784299
2-(4-chlorophenyl)-5-cyclopropyl-3-phenyl-1,6-naphthyridine
CID 67002197
5-chloro-2-(4-chlorophenyl)-3-phenyl-1,6-naphthyridine;methanamine
CID 87574008
1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclopropan-1-amine
CID 58524603
[1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclopropyl]azanium chloride
CID 86659516
(1R)-1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]ethanamine
CID 58524476
2-[4-(1-benzylcyclopropyl)phenyl]-5-chloro-3-phenyl-1,6-naphthyridine
CID 87561536
[4-[5-[2-[4-(azaniumylmethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524189
5-chloro-2-[(3E)-penta-1,3-dien-3-yl]-3-phenyl-1,6-naphthyridine
CID 89468087
[1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclobutyl] N-tert-butylcarbamate
CID 90991099
[4-(3,5-diphenyl-1,6-naphthyridin-2-yl)phenyl]methanamine;dihydrochloride
CID 173038029

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-cyclopropylphenyl)-3-phenyl-1,6-naphthyridine?
The IUPAC name of 5-chloro-2-(4-cyclopropylphenyl)-3-phenyl-1,6-naphthyridine (CID 87574586) is 5-chloro-2-(4-cyclopropylphenyl)-3-phenyl-1,6-naphthyridine.
What is the SMILES notation for 5-chloro-2-(4-cyclopropylphenyl)-3-phenyl-1,6-naphthyridine?
The canonical SMILES for 5-chloro-2-(4-cyclopropylphenyl)-3-phenyl-1,6-naphthyridine is Clc1nccc2nc(-c3ccc(C4CC4)cc3)c(-c3ccccc3)cc12.
What is the InChIKey of 5-chloro-2-(4-cyclopropylphenyl)-3-phenyl-1,6-naphthyridine?
The InChIKey is BNZYUYPTDDFLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2/c24-23-20-14-19(17-4-2-1-3-5-17)22(26-21(20)12-13-25-23)18-10-8-16(9-11-18)15-6-7-15/h1-5,8-15H,6-7H2.
What are the key properties of 5-chloro-2-(4-cyclopropylphenyl)-3-phenyl-1,6-naphthyridine?
5-chloro-2-(4-cyclopropylphenyl)-3-phenyl-1,6-naphthyridine has a molecular weight of 356.86 g/mol, XLogP of 6.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-cyclopropylphenyl)-3-phenyl-1,6-naphthyridine is sourced from PubChem (CID 87574586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).