3-[[(7-chloroquinolin-4-yl)amino]methyl]hexan-1-ol

C16H21ClN2O — CID 103705122

IUPAC3-[[(7-chloroquinolin-4-yl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C16H21ClN2O/c1-2-3-12(7-9-20)11-19-15-6-8-18-16-10-13(17)4-5-14(15)16/h4-6,8,10,12,20H,2-3,7,9,11H2,1H3,(H,18,19)
InChIKeyLIUSQAYBSCCTNF-UHFFFAOYSA-N
MW292.81 g/mol
LogP4.10
Rot. Bonds7

About 3-[[(7-chloroquinolin-4-yl)amino]methyl]hexan-1-ol

3-[[(7-chloroquinolin-4-yl)amino]methyl]hexan-1-ol (PubChem CID 103705122) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 3-[[(7-chloroquinolin-4-yl)amino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[(7-chloroquinolin-4-yl)amino]methyl]hexan-1-ol
PubChem CID103705122
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name3-[[(7-chloroquinolin-4-yl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C16H21ClN2O/c1-2-3-12(7-9-20)11-19-15-6-8-18-16-10-13(17)4-5-14(15)16/h4-6,8,10,12,20H,2-3,7,9,11H2,1H3,(H,18,19)
InChIKeyLIUSQAYBSCCTNF-UHFFFAOYSA-N
XLogP4.10
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(7-chloroquinolin-4-yl)amino]methyl]hexan-1-ol?
The IUPAC name of 3-[[(7-chloroquinolin-4-yl)amino]methyl]hexan-1-ol (CID 103705122) is 3-[[(7-chloroquinolin-4-yl)amino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[(7-chloroquinolin-4-yl)amino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[(7-chloroquinolin-4-yl)amino]methyl]hexan-1-ol is CCCC(CCO)CNc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 3-[[(7-chloroquinolin-4-yl)amino]methyl]hexan-1-ol?
The InChIKey is LIUSQAYBSCCTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-2-3-12(7-9-20)11-19-15-6-8-18-16-10-13(17)4-5-14(15)16/h4-6,8,10,12,20H,2-3,7,9,11H2,1H3,(H,18,19).
What are the key properties of 3-[[(7-chloroquinolin-4-yl)amino]methyl]hexan-1-ol?
3-[[(7-chloroquinolin-4-yl)amino]methyl]hexan-1-ol has a molecular weight of 292.81 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(7-chloroquinolin-4-yl)amino]methyl]hexan-1-ol is sourced from PubChem (CID 103705122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).