4-amino-3-(5-chloroquinolin-8-yl)-4-methylpentan-1-ol

C15H19ClN2O — CID 112618658

IUPAC4-amino-3-(5-chloroquinolin-8-yl)-4-methylpentan-1-ol
SMILESCC(C)(N)C(CCO)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H19ClN2O/c1-15(2,17)12(7-9-19)10-5-6-13(16)11-4-3-8-18-14(10)11/h3-6,8,12,19H,7,9,17H2,1-2H3
InChIKeyQWWOYZHLRLROND-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.09
Rot. Bonds4

About 4-amino-3-(5-chloroquinolin-8-yl)-4-methylpentan-1-ol

4-amino-3-(5-chloroquinolin-8-yl)-4-methylpentan-1-ol (PubChem CID 112618658) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 4-amino-3-(5-chloroquinolin-8-yl)-4-methylpentan-1-ol.

Molecular Properties

Compound Name4-amino-3-(5-chloroquinolin-8-yl)-4-methylpentan-1-ol
PubChem CID112618658
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name4-amino-3-(5-chloroquinolin-8-yl)-4-methylpentan-1-ol
SMILESCC(C)(N)C(CCO)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H19ClN2O/c1-15(2,17)12(7-9-19)10-5-6-13(16)11-4-3-8-18-14(10)11/h3-6,8,12,19H,7,9,17H2,1-2H3
InChIKeyQWWOYZHLRLROND-UHFFFAOYSA-N
XLogP3.09
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-(5-bromoquinolin-8-yl)-4-methylpentan-1-ol
CID 112618657
4-amino-3-(5-chloroquinolin-8-yl)pentanoic acid
CID 112618653
methyl (3S)-3-amino-3-(5-chloroquinolin-8-yl)propanoate
CID 113355755
methyl (3R)-3-amino-3-(5-chloroquinolin-8-yl)propanoate
CID 103940787
2-(5-chloroquinolin-8-yl)-2-(2,2-dimethylhydrazinyl)ethanamine
CID 112617884
N-tert-butyl-2-chloro-2-(5-chloroquinolin-8-yl)acetamide
CID 115960338
1-(5-chloroquinolin-8-yl)-2,2-difluoroethanol
CID 112618208
1-(5-chloroquinolin-8-yl)-2-phenylethanol
CID 112618238
ethyl 4-(5-chloroquinolin-8-yl)-4-hydroxybutanoate
CID 115960222
1-(5-chloroquinolin-8-yl)-N-ethylethane-1,2-diamine
CID 112617871
1-(5-chloroquinolin-8-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
CID 115960088
methyl 3-(5-chloroquinolin-8-yl)-3-hydroxy-2-methylpropanoate
CID 112618441

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(5-chloroquinolin-8-yl)-4-methylpentan-1-ol?
The IUPAC name of 4-amino-3-(5-chloroquinolin-8-yl)-4-methylpentan-1-ol (CID 112618658) is 4-amino-3-(5-chloroquinolin-8-yl)-4-methylpentan-1-ol.
What is the SMILES notation for 4-amino-3-(5-chloroquinolin-8-yl)-4-methylpentan-1-ol?
The canonical SMILES for 4-amino-3-(5-chloroquinolin-8-yl)-4-methylpentan-1-ol is CC(C)(N)C(CCO)c1ccc(Cl)c2cccnc12.
What is the InChIKey of 4-amino-3-(5-chloroquinolin-8-yl)-4-methylpentan-1-ol?
The InChIKey is QWWOYZHLRLROND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-15(2,17)12(7-9-19)10-5-6-13(16)11-4-3-8-18-14(10)11/h3-6,8,12,19H,7,9,17H2,1-2H3.
What are the key properties of 4-amino-3-(5-chloroquinolin-8-yl)-4-methylpentan-1-ol?
4-amino-3-(5-chloroquinolin-8-yl)-4-methylpentan-1-ol has a molecular weight of 278.78 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(5-chloroquinolin-8-yl)-4-methylpentan-1-ol is sourced from PubChem (CID 112618658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).