8-azido-2-chloro-8-propyl-6,7-dihydro-5H-quinoline

C12H15ClN4 — CID 118663693

IUPAC8-azido-2-chloro-8-propyl-6,7-dihydro-5H-quinoline
SMILESCCCC1(N=[N+]=[N-])CCCc2ccc(Cl)nc21
InChIInChI=1S/C12H15ClN4/c1-2-7-12(16-17-14)8-3-4-9-5-6-10(13)15-11(9)12/h5-6H,2-4,7-8H2,1H3
InChIKeyYGABTXKROJEATJ-UHFFFAOYSA-N
MW250.73 g/mol
LogP4.38
Rot. Bonds3

About 8-azido-2-chloro-8-propyl-6,7-dihydro-5H-quinoline

8-azido-2-chloro-8-propyl-6,7-dihydro-5H-quinoline (PubChem CID 118663693) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is 8-azido-2-chloro-8-propyl-6,7-dihydro-5H-quinoline.

Molecular Properties

Compound Name8-azido-2-chloro-8-propyl-6,7-dihydro-5H-quinoline
PubChem CID118663693
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name8-azido-2-chloro-8-propyl-6,7-dihydro-5H-quinoline
SMILESCCCC1(N=[N+]=[N-])CCCc2ccc(Cl)nc21
InChIInChI=1S/C12H15ClN4/c1-2-7-12(16-17-14)8-3-4-9-5-6-10(13)15-11(9)12/h5-6H,2-4,7-8H2,1H3
InChIKeyYGABTXKROJEATJ-UHFFFAOYSA-N
XLogP4.38
TPSA61.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 54.38
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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Frequently Asked Questions

What is the IUPAC name of 8-azido-2-chloro-8-propyl-6,7-dihydro-5H-quinoline?
The IUPAC name of 8-azido-2-chloro-8-propyl-6,7-dihydro-5H-quinoline (CID 118663693) is 8-azido-2-chloro-8-propyl-6,7-dihydro-5H-quinoline.
What is the SMILES notation for 8-azido-2-chloro-8-propyl-6,7-dihydro-5H-quinoline?
The canonical SMILES for 8-azido-2-chloro-8-propyl-6,7-dihydro-5H-quinoline is CCCC1(N=[N+]=[N-])CCCc2ccc(Cl)nc21.
What is the InChIKey of 8-azido-2-chloro-8-propyl-6,7-dihydro-5H-quinoline?
The InChIKey is YGABTXKROJEATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c1-2-7-12(16-17-14)8-3-4-9-5-6-10(13)15-11(9)12/h5-6H,2-4,7-8H2,1H3.
What are the key properties of 8-azido-2-chloro-8-propyl-6,7-dihydro-5H-quinoline?
8-azido-2-chloro-8-propyl-6,7-dihydro-5H-quinoline has a molecular weight of 250.73 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azido-2-chloro-8-propyl-6,7-dihydro-5H-quinoline is sourced from PubChem (CID 118663693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).