3-(azidomethyl)-2-chloro-8-ethylquinoline

C12H11ClN4 — CID 46838842

IUPAC3-(azidomethyl)-2-chloro-8-ethylquinoline
SMILESCCc1cccc2cc(CN=[N+]=[N-])c(Cl)nc12
InChIInChI=1S/C12H11ClN4/c1-2-8-4-3-5-9-6-10(7-15-17-14)12(13)16-11(8)9/h3-6H,2,7H2,1H3
InChIKeyDXXYPKJNBZFEDP-UHFFFAOYSA-N
MW246.70 g/mol
LogP4.26
Rot. Bonds3

About 3-(azidomethyl)-2-chloro-8-ethylquinoline

3-(azidomethyl)-2-chloro-8-ethylquinoline (PubChem CID 46838842) has the molecular formula C12H11ClN4 and a molecular weight of 246.70 g/mol. Its IUPAC name is 3-(azidomethyl)-2-chloro-8-ethylquinoline.

Molecular Properties

Compound Name3-(azidomethyl)-2-chloro-8-ethylquinoline
PubChem CID46838842
Molecular FormulaC12H11ClN4
Molecular Weight246.70 g/mol
Exact Mass246.07
IUPAC Name3-(azidomethyl)-2-chloro-8-ethylquinoline
SMILESCCc1cccc2cc(CN=[N+]=[N-])c(Cl)nc12
InChIInChI=1S/C12H11ClN4/c1-2-8-4-3-5-9-6-10(7-15-17-14)12(13)16-11(8)9/h3-6H,2,7H2,1H3
InChIKeyDXXYPKJNBZFEDP-UHFFFAOYSA-N
XLogP4.26
TPSA61.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

3-tert-butyl-2-chloro-8-ethylquinoline
CID 63382109
3-(azidomethyl)-2-chloro-6-methylquinoline
CID 46838836
3-(2-chloro-8-ethylquinolin-3-yl)-N,N-dimethylpropan-1-amine
CID 170866831
2-chloro-3-ethyl-8-methylquinoline
CID 18523984
2-chloro-8-ethyl-3-propan-2-ylquinoline
CID 63531228
3,8-diethylquinolin-2-amine
CID 17039687
3,8-diethylquinolin-2-amine;hydrochloride
CID 43866005
1-(azidomethyl)-2,3-dichlorobenzene
CID 21282659
2-chloro-8-ethyl-3-(3-piperazin-1-ylpropyl)quinoline
CID 170868293
3,8-diethyl-N-methylquinolin-2-amine
CID 63232457
2,8-dichloro-3-propylquinoline
CID 63531217
1-(azidomethyl)-2,3-difluorobenzene
CID 21282623

Frequently Asked Questions

What is the IUPAC name of 3-(azidomethyl)-2-chloro-8-ethylquinoline?
The IUPAC name of 3-(azidomethyl)-2-chloro-8-ethylquinoline (CID 46838842) is 3-(azidomethyl)-2-chloro-8-ethylquinoline.
What is the SMILES notation for 3-(azidomethyl)-2-chloro-8-ethylquinoline?
The canonical SMILES for 3-(azidomethyl)-2-chloro-8-ethylquinoline is CCc1cccc2cc(CN=[N+]=[N-])c(Cl)nc12.
What is the InChIKey of 3-(azidomethyl)-2-chloro-8-ethylquinoline?
The InChIKey is DXXYPKJNBZFEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4/c1-2-8-4-3-5-9-6-10(7-15-17-14)12(13)16-11(8)9/h3-6H,2,7H2,1H3.
What are the key properties of 3-(azidomethyl)-2-chloro-8-ethylquinoline?
3-(azidomethyl)-2-chloro-8-ethylquinoline has a molecular weight of 246.70 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azidomethyl)-2-chloro-8-ethylquinoline is sourced from PubChem (CID 46838842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).