1-naphthalen-1-yl-3-pyridin-2-ylisoquinoline

C24H16N2 — CID 15488689

IUPAC1-naphthalen-1-yl-3-pyridin-2-ylisoquinoline
SMILESc1ccc(-c2cc3ccccc3c(-c3cccc4ccccc34)n2)nc1
InChIInChI=1S/C24H16N2/c1-3-11-19-17(8-1)10-7-13-21(19)24-20-12-4-2-9-18(20)16-23(26-24)22-14-5-6-15-25-22/h1-16H
InChIKeyRYGHGZSYHBKBAL-UHFFFAOYSA-N
MW332.41 g/mol
LogP6.12
Rot. Bonds2

About 1-naphthalen-1-yl-3-pyridin-2-ylisoquinoline

1-naphthalen-1-yl-3-pyridin-2-ylisoquinoline (PubChem CID 15488689) has the molecular formula C24H16N2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 1-naphthalen-1-yl-3-pyridin-2-ylisoquinoline.

Molecular Properties

Compound Name1-naphthalen-1-yl-3-pyridin-2-ylisoquinoline
PubChem CID15488689
Molecular FormulaC24H16N2
Molecular Weight332.41 g/mol
Exact Mass332.13
IUPAC Name1-naphthalen-1-yl-3-pyridin-2-ylisoquinoline
SMILESc1ccc(-c2cc3ccccc3c(-c3cccc4ccccc34)n2)nc1
InChIInChI=1S/C24H16N2/c1-3-11-19-17(8-1)10-7-13-21(19)24-20-12-4-2-9-18(20)16-23(26-24)22-14-5-6-15-25-22/h1-16H
InChIKeyRYGHGZSYHBKBAL-UHFFFAOYSA-N
XLogP6.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.41
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Azatadine
CID 19861
Benzo(F)Quinoline
CID 6796
4,7-Diphenyl-1,10-phenanthroline
CID 72812
4,7-Phenanthroline
CID 67472
4-(4-Dimethylaminostyryl)quinoline
CID 668053
Phenanthridine
CID 9189
Benzo(h)quinoline
CID 9191
3-Methylisoquinoline
CID 14306
BC-1215
CID 72201045
4-(4-Methylpiperazino)-2-(2-pyridyl)quinoline
CID 453063
Quinoline, 4-(4-methyl-1-piperazinyl)-2-(3-pyridinyl)-
CID 453068
3-Phenylisoquinoline
CID 609614

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-3-pyridin-2-ylisoquinoline?
The IUPAC name of 1-naphthalen-1-yl-3-pyridin-2-ylisoquinoline (CID 15488689) is 1-naphthalen-1-yl-3-pyridin-2-ylisoquinoline.
What is the SMILES notation for 1-naphthalen-1-yl-3-pyridin-2-ylisoquinoline?
The canonical SMILES for 1-naphthalen-1-yl-3-pyridin-2-ylisoquinoline is c1ccc(-c2cc3ccccc3c(-c3cccc4ccccc34)n2)nc1.
What is the InChIKey of 1-naphthalen-1-yl-3-pyridin-2-ylisoquinoline?
The InChIKey is RYGHGZSYHBKBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2/c1-3-11-19-17(8-1)10-7-13-21(19)24-20-12-4-2-9-18(20)16-23(26-24)22-14-5-6-15-25-22/h1-16H.
What are the key properties of 1-naphthalen-1-yl-3-pyridin-2-ylisoquinoline?
1-naphthalen-1-yl-3-pyridin-2-ylisoquinoline has a molecular weight of 332.41 g/mol, XLogP of 6.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-3-pyridin-2-ylisoquinoline is sourced from PubChem (CID 15488689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).