6-benzyl-2-chloro-8-methylidene-5,7-dihydro-1,6-naphthyridine

C16H15ClN2 — CID 59538692

IUPAC6-benzyl-2-chloro-8-methylidene-5,7-dihydro-1,6-naphthyridine
SMILESC=C1CN(Cc2ccccc2)Cc2ccc(Cl)nc21
InChIInChI=1S/C16H15ClN2/c1-12-9-19(10-13-5-3-2-4-6-13)11-14-7-8-15(17)18-16(12)14/h2-8H,1,9-11H2
InChIKeyLKXGWBHJKHPRLR-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.76
Rot. Bonds2

About 6-benzyl-2-chloro-8-methylidene-5,7-dihydro-1,6-naphthyridine

6-benzyl-2-chloro-8-methylidene-5,7-dihydro-1,6-naphthyridine (PubChem CID 59538692) has the molecular formula C16H15ClN2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 6-benzyl-2-chloro-8-methylidene-5,7-dihydro-1,6-naphthyridine.

Molecular Properties

Compound Name6-benzyl-2-chloro-8-methylidene-5,7-dihydro-1,6-naphthyridine
PubChem CID59538692
Molecular FormulaC16H15ClN2
Molecular Weight270.76 g/mol
Exact Mass270.09
IUPAC Name6-benzyl-2-chloro-8-methylidene-5,7-dihydro-1,6-naphthyridine
SMILESC=C1CN(Cc2ccccc2)Cc2ccc(Cl)nc21
InChIInChI=1S/C16H15ClN2/c1-12-9-19(10-13-5-3-2-4-6-13)11-14-7-8-15(17)18-16(12)14/h2-8H,1,9-11H2
InChIKeyLKXGWBHJKHPRLR-UHFFFAOYSA-N
XLogP3.76
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.76
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

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CID 154963782
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1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
2-benzyl-5-fluoro-1,3-dihydroisoindole;hydrochloride
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2-benzyl-6-chloro-1,3-dihydroisoquinolin-4-one
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3-[(4-benzylpiperazin-1-yl)methyl]-6-chloropyridazine
CID 104513474
2-benzyl-5-phenylmethoxy-1,3-dihydroisoindole
CID 171397259
6-benzyl-5,7-dihydro-1H-pyrrolo[3,4-f]indole
CID 130972580
CID 123628818
CID 123628818
3,7,11-tribenzyl-3,7,11-triazabicyclo[11.2.2]heptadeca-1(15),13,16-triene
CID 101181237
2,4,6-tris(4-benzylpiperazin-1-yl)-1,3,5-triazine
CID 3393793
2-(4-benzylpiperazin-1-yl)-6-chloropyridin-4-amine
CID 104918654

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-chloro-8-methylidene-5,7-dihydro-1,6-naphthyridine?
The IUPAC name of 6-benzyl-2-chloro-8-methylidene-5,7-dihydro-1,6-naphthyridine (CID 59538692) is 6-benzyl-2-chloro-8-methylidene-5,7-dihydro-1,6-naphthyridine.
What is the SMILES notation for 6-benzyl-2-chloro-8-methylidene-5,7-dihydro-1,6-naphthyridine?
The canonical SMILES for 6-benzyl-2-chloro-8-methylidene-5,7-dihydro-1,6-naphthyridine is C=C1CN(Cc2ccccc2)Cc2ccc(Cl)nc21.
What is the InChIKey of 6-benzyl-2-chloro-8-methylidene-5,7-dihydro-1,6-naphthyridine?
The InChIKey is LKXGWBHJKHPRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2/c1-12-9-19(10-13-5-3-2-4-6-13)11-14-7-8-15(17)18-16(12)14/h2-8H,1,9-11H2.
What are the key properties of 6-benzyl-2-chloro-8-methylidene-5,7-dihydro-1,6-naphthyridine?
6-benzyl-2-chloro-8-methylidene-5,7-dihydro-1,6-naphthyridine has a molecular weight of 270.76 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-chloro-8-methylidene-5,7-dihydro-1,6-naphthyridine is sourced from PubChem (CID 59538692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).