3-[(5-chloroquinolin-8-yl)methylamino]-3-methylpentan-1-ol

C16H21ClN2O — CID 103774861

IUPAC3-[(5-chloroquinolin-8-yl)methylamino]-3-methylpentan-1-ol
SMILESCCC(C)(CCO)NCc1ccc(Cl)c2cccnc12
InChIInChI=1S/C16H21ClN2O/c1-3-16(2,8-10-20)19-11-12-6-7-14(17)13-5-4-9-18-15(12)13/h4-7,9,19-20H,3,8,10-11H2,1-2H3
InChIKeyGFCPCELXMFKLBH-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.53
Rot. Bonds6

About 3-[(5-chloroquinolin-8-yl)methylamino]-3-methylpentan-1-ol

3-[(5-chloroquinolin-8-yl)methylamino]-3-methylpentan-1-ol (PubChem CID 103774861) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 3-[(5-chloroquinolin-8-yl)methylamino]-3-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(5-chloroquinolin-8-yl)methylamino]-3-methylpentan-1-ol
PubChem CID103774861
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name3-[(5-chloroquinolin-8-yl)methylamino]-3-methylpentan-1-ol
SMILESCCC(C)(CCO)NCc1ccc(Cl)c2cccnc12
InChIInChI=1S/C16H21ClN2O/c1-3-16(2,8-10-20)19-11-12-6-7-14(17)13-5-4-9-18-15(12)13/h4-7,9,19-20H,3,8,10-11H2,1-2H3
InChIKeyGFCPCELXMFKLBH-UHFFFAOYSA-N
XLogP3.53
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(5-chloroquinolin-8-yl)methyl]-1,1,1-trifluoro-2-methylbutan-2-amine
CID 95785918
3-[(5-chloroquinolin-8-yl)methylamino]-3-methylbutanamide
CID 104580103
2-(5-chloroquinolin-8-yl)oxy-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 110002595
3-[(5-bromoquinolin-8-yl)methylamino]-3-methylbutan-1-ol
CID 115968214
(5-chloroquinolin-8-yl)methylhydrazine
CID 112617928
1-(5-chloroquinolin-8-yl)-N-ethoxymethanamine
CID 112686388
3-methyl-3-(naphthalen-1-ylmethylamino)pentan-1-ol
CID 103774843
3-[(5-chloroquinolin-8-yl)methylamino]-2,2-dimethylpropanamide
CID 103765788
2-[(5-chloroquinolin-8-yl)methyl-ethylamino]ethanol
CID 60509838
2-[(5-chloroquinolin-8-yl)methylamino]-N-ethylacetamide
CID 112699417
N-[(5-chloroquinolin-8-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 115697579
3-[(2-chloro-1-benzofuran-3-yl)methylamino]-3-methylpentan-1-ol
CID 103866300

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloroquinolin-8-yl)methylamino]-3-methylpentan-1-ol?
The IUPAC name of 3-[(5-chloroquinolin-8-yl)methylamino]-3-methylpentan-1-ol (CID 103774861) is 3-[(5-chloroquinolin-8-yl)methylamino]-3-methylpentan-1-ol.
What is the SMILES notation for 3-[(5-chloroquinolin-8-yl)methylamino]-3-methylpentan-1-ol?
The canonical SMILES for 3-[(5-chloroquinolin-8-yl)methylamino]-3-methylpentan-1-ol is CCC(C)(CCO)NCc1ccc(Cl)c2cccnc12.
What is the InChIKey of 3-[(5-chloroquinolin-8-yl)methylamino]-3-methylpentan-1-ol?
The InChIKey is GFCPCELXMFKLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-3-16(2,8-10-20)19-11-12-6-7-14(17)13-5-4-9-18-15(12)13/h4-7,9,19-20H,3,8,10-11H2,1-2H3.
What are the key properties of 3-[(5-chloroquinolin-8-yl)methylamino]-3-methylpentan-1-ol?
3-[(5-chloroquinolin-8-yl)methylamino]-3-methylpentan-1-ol has a molecular weight of 292.81 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloroquinolin-8-yl)methylamino]-3-methylpentan-1-ol is sourced from PubChem (CID 103774861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).