4-butyl-1,8-naphthyridine

C12H14N2 — CID 20689310

IUPAC4-butyl-1,8-naphthyridine
SMILESCCCCc1ccnc2ncccc12
InChIInChI=1S/C12H14N2/c1-2-3-5-10-7-9-14-12-11(10)6-4-8-13-12/h4,6-9H,2-3,5H2,1H3
InChIKeyLWFZSBJGDLXLHK-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.97
Rot. Bonds3

About 4-butyl-1,8-naphthyridine

4-butyl-1,8-naphthyridine (PubChem CID 20689310) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 4-butyl-1,8-naphthyridine.

Molecular Properties

Compound Name4-butyl-1,8-naphthyridine
PubChem CID20689310
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name4-butyl-1,8-naphthyridine
SMILESCCCCc1ccnc2ncccc12
InChIInChI=1S/C12H14N2/c1-2-3-5-10-7-9-14-12-11(10)6-4-8-13-12/h4,6-9H,2-3,5H2,1H3
InChIKeyLWFZSBJGDLXLHK-UHFFFAOYSA-N
XLogP2.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,7-didodecyl-1,10-phenanthroline
CID 10098057
4,7-di(tridecyl)-1,10-phenanthroline
CID 5194028
4,7-dihexyl-1,10-phenanthroline
CID 10904194
4-butyl-8-(trifluoromethyl)quinoline
CID 90717731
4-tridecylquinolin-8-ol
CID 102274119
5-undecylquinolin-8-ol
CID 10780517
2-(1,8-naphthyridin-4-yl)ethanesulfonic acid
CID 174850608
3-heptyl-2-methylpyridine
CID 134369519
2-chloro-3-pentylpyridine
CID 54505218
5-butyl-N,N-dimethylisoquinolin-1-amine
CID 122392842
2-methyl-3-tetradecylpyridine;hydrobromide
CID 175265585
2-chloro-3-dodecylpyridine
CID 54546812

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1,8-naphthyridine?
The IUPAC name of 4-butyl-1,8-naphthyridine (CID 20689310) is 4-butyl-1,8-naphthyridine.
What is the SMILES notation for 4-butyl-1,8-naphthyridine?
The canonical SMILES for 4-butyl-1,8-naphthyridine is CCCCc1ccnc2ncccc12.
What is the InChIKey of 4-butyl-1,8-naphthyridine?
The InChIKey is LWFZSBJGDLXLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-2-3-5-10-7-9-14-12-11(10)6-4-8-13-12/h4,6-9H,2-3,5H2,1H3.
What are the key properties of 4-butyl-1,8-naphthyridine?
4-butyl-1,8-naphthyridine has a molecular weight of 186.26 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1,8-naphthyridine is sourced from PubChem (CID 20689310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).