5-[(7-chloroquinolin-4-yl)-methylamino]pentan-1-ol

C15H19ClN2O — CID 107203509

IUPAC5-[(7-chloroquinolin-4-yl)-methylamino]pentan-1-ol
SMILESCN(CCCCCO)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C15H19ClN2O/c1-18(9-3-2-4-10-19)15-7-8-17-14-11-12(16)5-6-13(14)15/h5-8,11,19H,2-4,9-10H2,1H3
InChIKeyHSCGQXHNOSXVPM-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.49
Rot. Bonds6

About 5-[(7-chloroquinolin-4-yl)-methylamino]pentan-1-ol

5-[(7-chloroquinolin-4-yl)-methylamino]pentan-1-ol (PubChem CID 107203509) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 5-[(7-chloroquinolin-4-yl)-methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[(7-chloroquinolin-4-yl)-methylamino]pentan-1-ol
PubChem CID107203509
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name5-[(7-chloroquinolin-4-yl)-methylamino]pentan-1-ol
SMILESCN(CCCCCO)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C15H19ClN2O/c1-18(9-3-2-4-10-19)15-7-8-17-14-11-12(16)5-6-13(14)15/h5-8,11,19H,2-4,9-10H2,1H3
InChIKeyHSCGQXHNOSXVPM-UHFFFAOYSA-N
XLogP3.49
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(7-chloroquinolin-4-yl)-methylamino]ethanol
CID 60631611
7-chloro-N-ethyl-N-methylquinolin-4-amine
CID 123939218
1-[(7-chloroquinolin-4-yl)-methylamino]propan-2-ol
CID 55061126
7-chloro-N-[2-(2-chloroethoxy)ethyl]-N-methylquinolin-4-amine
CID 114242626
N'-(7-chloroquinolin-4-yl)-N'-methyl-N-propylethane-1,2-diamine
CID 55090859
N',N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine
CID 57117786
N-[3-[(6-chloroquinolin-4-yl)-methylamino]propyl]acetamide
CID 133303992
2-[(7-chloroquinolin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484431
N-(3-bromopropyl)-7-chloro-N-propan-2-ylquinolin-4-amine
CID 80674237
6-[(7-chloroquinolin-4-yl)amino]hexan-1-ol;hydrochloride
CID 21424794
N-[2-[2-[acetyl-(7-chloroquinolin-4-yl)amino]ethyl-methylamino]ethyl]-N-(7-methylquinolin-4-yl)acetamide
CID 161124941
N'-(7-chloroquinolin-4-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 60869676

Frequently Asked Questions

What is the IUPAC name of 5-[(7-chloroquinolin-4-yl)-methylamino]pentan-1-ol?
The IUPAC name of 5-[(7-chloroquinolin-4-yl)-methylamino]pentan-1-ol (CID 107203509) is 5-[(7-chloroquinolin-4-yl)-methylamino]pentan-1-ol.
What is the SMILES notation for 5-[(7-chloroquinolin-4-yl)-methylamino]pentan-1-ol?
The canonical SMILES for 5-[(7-chloroquinolin-4-yl)-methylamino]pentan-1-ol is CN(CCCCCO)c1ccnc2cc(Cl)ccc12.
What is the InChIKey of 5-[(7-chloroquinolin-4-yl)-methylamino]pentan-1-ol?
The InChIKey is HSCGQXHNOSXVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-18(9-3-2-4-10-19)15-7-8-17-14-11-12(16)5-6-13(14)15/h5-8,11,19H,2-4,9-10H2,1H3.
What are the key properties of 5-[(7-chloroquinolin-4-yl)-methylamino]pentan-1-ol?
5-[(7-chloroquinolin-4-yl)-methylamino]pentan-1-ol has a molecular weight of 278.78 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7-chloroquinolin-4-yl)-methylamino]pentan-1-ol is sourced from PubChem (CID 107203509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).