6-[(7-chloroquinolin-4-yl)amino]hexan-1-ol;hydrochloride

C15H20Cl2N2O — CID 21424794

IUPAC6-[(7-chloroquinolin-4-yl)amino]hexan-1-ol;hydrochloride
SMILESCl.OCCCCCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C15H19ClN2O.ClH/c16-12-5-6-13-14(7-9-18-15(13)11-12)17-8-3-1-2-4-10-19;/h5-7,9,11,19H,1-4,8,10H2,(H,17,18);1H
InChIKeyWYYUHVNXBLDHRQ-UHFFFAOYSA-N
MW315.24 g/mol
LogP4.27
Rot. Bonds7

About 6-[(7-chloroquinolin-4-yl)amino]hexan-1-ol;hydrochloride

6-[(7-chloroquinolin-4-yl)amino]hexan-1-ol;hydrochloride (PubChem CID 21424794) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is 6-[(7-chloroquinolin-4-yl)amino]hexan-1-ol;hydrochloride.

Molecular Properties

Compound Name6-[(7-chloroquinolin-4-yl)amino]hexan-1-ol;hydrochloride
PubChem CID21424794
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC Name6-[(7-chloroquinolin-4-yl)amino]hexan-1-ol;hydrochloride
SMILESCl.OCCCCCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C15H19ClN2O.ClH/c16-12-5-6-13-14(7-9-18-15(13)11-12)17-8-3-1-2-4-10-19;/h5-7,9,11,19H,1-4,8,10H2,(H,17,18);1H
InChIKeyWYYUHVNXBLDHRQ-UHFFFAOYSA-N
XLogP4.27
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 54.27
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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Related Compounds

N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
4-[[4-[2-[(7-chloroquinolin-4-yl)amino]ethylamino]pyrimidin-2-yl]amino]butan-1-ol
CID 127048435
N-(7-chloroquinolin-4-yl)-N',N'-bis[3-[(7-chloroquinolin-4-yl)amino]propyl]butane-1,4-diamine
CID 130467293
5-[[4-[2-[(7-chloroquinolin-4-yl)amino]ethylamino]-6-methylpyrimidin-2-yl]amino]pentan-1-ol
CID 71735482
N-butyl-7-chloroquinolin-4-amine
CID 10037042
5-[(7-chloroquinolin-4-yl)amino]pentanamide
CID 106238925
6-[(7-methoxyquinolin-4-yl)amino]hexan-1-ol
CID 21424689
5-[(7-methoxyquinolin-4-yl)amino]pentan-1-ol
CID 21424700
N-(7-chloroquinolin-4-yl)-N'-(1,5-naphthyridin-4-yl)butane-1,4-diamine
CID 155559378
N-[4-[(7-chloroquinolin-4-yl)amino]butyl]butanamide
CID 42743564
CID 70870191
CID 70870191
4-[(7-chloroquinolin-4-yl)amino]butyl nitrate
CID 54051305

Frequently Asked Questions

What is the IUPAC name of 6-[(7-chloroquinolin-4-yl)amino]hexan-1-ol;hydrochloride?
The IUPAC name of 6-[(7-chloroquinolin-4-yl)amino]hexan-1-ol;hydrochloride (CID 21424794) is 6-[(7-chloroquinolin-4-yl)amino]hexan-1-ol;hydrochloride.
What is the SMILES notation for 6-[(7-chloroquinolin-4-yl)amino]hexan-1-ol;hydrochloride?
The canonical SMILES for 6-[(7-chloroquinolin-4-yl)amino]hexan-1-ol;hydrochloride is Cl.OCCCCCCNc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 6-[(7-chloroquinolin-4-yl)amino]hexan-1-ol;hydrochloride?
The InChIKey is WYYUHVNXBLDHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O.ClH/c16-12-5-6-13-14(7-9-18-15(13)11-12)17-8-3-1-2-4-10-19;/h5-7,9,11,19H,1-4,8,10H2,(H,17,18);1H.
What are the key properties of 6-[(7-chloroquinolin-4-yl)amino]hexan-1-ol;hydrochloride?
6-[(7-chloroquinolin-4-yl)amino]hexan-1-ol;hydrochloride has a molecular weight of 315.24 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(7-chloroquinolin-4-yl)amino]hexan-1-ol;hydrochloride is sourced from PubChem (CID 21424794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).