2-benzyl-6-chloro-4-methyl-3,4-dihydro-1H-2,7-naphthyridine

C16H17ClN2 — CID 169082451

IUPAC2-benzyl-6-chloro-4-methyl-3,4-dihydro-1H-2,7-naphthyridine
SMILESCC1CN(Cc2ccccc2)Cc2cnc(Cl)cc21
InChIInChI=1S/C16H17ClN2/c1-12-9-19(10-13-5-3-2-4-6-13)11-14-8-18-16(17)7-15(12)14/h2-8,12H,9-11H2,1H3
InChIKeyMWQUDELMDQXNCC-UHFFFAOYSA-N
MW272.78 g/mol
LogP3.85
Rot. Bonds2

About 2-benzyl-6-chloro-4-methyl-3,4-dihydro-1H-2,7-naphthyridine

2-benzyl-6-chloro-4-methyl-3,4-dihydro-1H-2,7-naphthyridine (PubChem CID 169082451) has the molecular formula C16H17ClN2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 2-benzyl-6-chloro-4-methyl-3,4-dihydro-1H-2,7-naphthyridine.

Molecular Properties

Compound Name2-benzyl-6-chloro-4-methyl-3,4-dihydro-1H-2,7-naphthyridine
PubChem CID169082451
Molecular FormulaC16H17ClN2
Molecular Weight272.78 g/mol
Exact Mass272.11
IUPAC Name2-benzyl-6-chloro-4-methyl-3,4-dihydro-1H-2,7-naphthyridine
SMILESCC1CN(Cc2ccccc2)Cc2cnc(Cl)cc21
InChIInChI=1S/C16H17ClN2/c1-12-9-19(10-13-5-3-2-4-6-13)11-14-8-18-16(17)7-15(12)14/h2-8,12H,9-11H2,1H3
InChIKeyMWQUDELMDQXNCC-UHFFFAOYSA-N
XLogP3.85
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 53.85
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

2-benzyl-6-chloro-1,3-dihydropyrrolo[3,4-c]pyridine
CID 154963782
6-benzyl-8-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 121455931
(3R,5R)-1-benzyl-3,5-dimethylpiperidin-4-one
CID 56828035
(3S,5S)-1-benzyl-4-chloro-3,5-dimethylpiperidine
CID 97176894
1-benzyl-3,5-dimethyl-4-phenylpiperidine
CID 141122584
(1S,5S)-3-benzyl-3-azabicyclo[3.1.0]hexane
CID 98048046
(4S)-1-benzyl-2,4-dimethylpyrrolidine
CID 118651465
(2S,4R)-1-benzyl-2,4-dimethylpyrrolidine
CID 15316822
10-benzyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;hydrochloride
CID 69032798
1-benzyl-3-methyl-4-phenylpyrrolidine
CID 3522572
(4S)-1-benzyl-3-methyl-4-phenylpyrrolidine
CID 71104653
1-benzyl-3,4-diphenylpyrrolidine
CID 5136126

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-chloro-4-methyl-3,4-dihydro-1H-2,7-naphthyridine?
The IUPAC name of 2-benzyl-6-chloro-4-methyl-3,4-dihydro-1H-2,7-naphthyridine (CID 169082451) is 2-benzyl-6-chloro-4-methyl-3,4-dihydro-1H-2,7-naphthyridine.
What is the SMILES notation for 2-benzyl-6-chloro-4-methyl-3,4-dihydro-1H-2,7-naphthyridine?
The canonical SMILES for 2-benzyl-6-chloro-4-methyl-3,4-dihydro-1H-2,7-naphthyridine is CC1CN(Cc2ccccc2)Cc2cnc(Cl)cc21.
What is the InChIKey of 2-benzyl-6-chloro-4-methyl-3,4-dihydro-1H-2,7-naphthyridine?
The InChIKey is MWQUDELMDQXNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2/c1-12-9-19(10-13-5-3-2-4-6-13)11-14-8-18-16(17)7-15(12)14/h2-8,12H,9-11H2,1H3.
What are the key properties of 2-benzyl-6-chloro-4-methyl-3,4-dihydro-1H-2,7-naphthyridine?
2-benzyl-6-chloro-4-methyl-3,4-dihydro-1H-2,7-naphthyridine has a molecular weight of 272.78 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-chloro-4-methyl-3,4-dihydro-1H-2,7-naphthyridine is sourced from PubChem (CID 169082451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).