6-[(6-bromoquinolin-2-yl)amino]hexan-1-ol

C15H19BrN2O — CID 133434464

IUPAC6-[(6-bromoquinolin-2-yl)amino]hexan-1-ol
SMILESOCCCCCCNc1ccc2cc(Br)ccc2n1
InChIInChI=1S/C15H19BrN2O/c16-13-6-7-14-12(11-13)5-8-15(18-14)17-9-3-1-2-4-10-19/h5-8,11,19H,1-4,9-10H2,(H,17,18)
InChIKeyLQPWSSRMVUQRQP-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.96
Rot. Bonds7

About 6-[(6-bromoquinolin-2-yl)amino]hexan-1-ol

6-[(6-bromoquinolin-2-yl)amino]hexan-1-ol (PubChem CID 133434464) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is 6-[(6-bromoquinolin-2-yl)amino]hexan-1-ol.

Molecular Properties

Compound Name6-[(6-bromoquinolin-2-yl)amino]hexan-1-ol
PubChem CID133434464
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name6-[(6-bromoquinolin-2-yl)amino]hexan-1-ol
SMILESOCCCCCCNc1ccc2cc(Br)ccc2n1
InChIInChI=1S/C15H19BrN2O/c16-13-6-7-14-12(11-13)5-8-15(18-14)17-9-3-1-2-4-10-19/h5-8,11,19H,1-4,9-10H2,(H,17,18)
InChIKeyLQPWSSRMVUQRQP-UHFFFAOYSA-N
XLogP3.96
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-bromoquinolin-2-yl)amino]hexan-1-ol?
The IUPAC name of 6-[(6-bromoquinolin-2-yl)amino]hexan-1-ol (CID 133434464) is 6-[(6-bromoquinolin-2-yl)amino]hexan-1-ol.
What is the SMILES notation for 6-[(6-bromoquinolin-2-yl)amino]hexan-1-ol?
The canonical SMILES for 6-[(6-bromoquinolin-2-yl)amino]hexan-1-ol is OCCCCCCNc1ccc2cc(Br)ccc2n1.
What is the InChIKey of 6-[(6-bromoquinolin-2-yl)amino]hexan-1-ol?
The InChIKey is LQPWSSRMVUQRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c16-13-6-7-14-12(11-13)5-8-15(18-14)17-9-3-1-2-4-10-19/h5-8,11,19H,1-4,9-10H2,(H,17,18).
What are the key properties of 6-[(6-bromoquinolin-2-yl)amino]hexan-1-ol?
6-[(6-bromoquinolin-2-yl)amino]hexan-1-ol has a molecular weight of 323.23 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-bromoquinolin-2-yl)amino]hexan-1-ol is sourced from PubChem (CID 133434464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).