N-[(5-chloroquinolin-8-yl)methyl]-1-ethoxypropan-2-amine

C15H19ClN2O — CID 112699454

IUPACN-[(5-chloroquinolin-8-yl)methyl]-1-ethoxypropan-2-amine
SMILESCCOCC(C)NCc1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H19ClN2O/c1-3-19-10-11(2)18-9-12-6-7-14(16)13-5-4-8-17-15(12)13/h4-8,11,18H,3,9-10H2,1-2H3
InChIKeyOXCCQUSVODMPEQ-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.40
Rot. Bonds6

About N-[(5-chloroquinolin-8-yl)methyl]-1-ethoxypropan-2-amine

N-[(5-chloroquinolin-8-yl)methyl]-1-ethoxypropan-2-amine (PubChem CID 112699454) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is N-[(5-chloroquinolin-8-yl)methyl]-1-ethoxypropan-2-amine.

Molecular Properties

Compound NameN-[(5-chloroquinolin-8-yl)methyl]-1-ethoxypropan-2-amine
PubChem CID112699454
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC NameN-[(5-chloroquinolin-8-yl)methyl]-1-ethoxypropan-2-amine
SMILESCCOCC(C)NCc1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H19ClN2O/c1-3-19-10-11(2)18-9-12-6-7-14(16)13-5-4-8-17-15(12)13/h4-8,11,18H,3,9-10H2,1-2H3
InChIKeyOXCCQUSVODMPEQ-UHFFFAOYSA-N
XLogP3.40
TPSA34.15 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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloroquinolin-8-yl)methyl]-4-methylhexan-2-amine
CID 115959389
1-(5-chloroquinolin-8-yl)-N-ethoxymethanamine
CID 112686388
ethyl 2-[(5-chloroquinolin-8-yl)methylamino]propanoate
CID 115959237
N-[(5-chloroquinolin-8-yl)methyl]but-3-yn-2-amine
CID 114415420
N-[(5-chloroquinolin-8-yl)methyl]-1-methylsulfonylpropan-2-amine
CID 115697482
2-[(5-chloroquinolin-8-yl)methylamino]-N-methylpropanamide
CID 112617733
N-[(5-chloroquinolin-8-yl)methyl]-2-(3-methylbutoxy)ethanamine
CID 115697403
(5-chloroquinolin-8-yl)methylhydrazine
CID 112617928
N'-butan-2-yl-N-[(5-chloroquinolin-8-yl)methyl]-N'-methylethane-1,2-diamine
CID 103765844
4-[(5-chloroquinolin-8-yl)methylamino]-1-methoxybutan-2-ol
CID 103876224
N-[(5-chloroquinolin-8-yl)methyl]-2-ethylcyclopropan-1-amine
CID 103765936
1-(5-chloroquinolin-8-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 115697462

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloroquinolin-8-yl)methyl]-1-ethoxypropan-2-amine?
The IUPAC name of N-[(5-chloroquinolin-8-yl)methyl]-1-ethoxypropan-2-amine (CID 112699454) is N-[(5-chloroquinolin-8-yl)methyl]-1-ethoxypropan-2-amine.
What is the SMILES notation for N-[(5-chloroquinolin-8-yl)methyl]-1-ethoxypropan-2-amine?
The canonical SMILES for N-[(5-chloroquinolin-8-yl)methyl]-1-ethoxypropan-2-amine is CCOCC(C)NCc1ccc(Cl)c2cccnc12.
What is the InChIKey of N-[(5-chloroquinolin-8-yl)methyl]-1-ethoxypropan-2-amine?
The InChIKey is OXCCQUSVODMPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-3-19-10-11(2)18-9-12-6-7-14(16)13-5-4-8-17-15(12)13/h4-8,11,18H,3,9-10H2,1-2H3.
What are the key properties of N-[(5-chloroquinolin-8-yl)methyl]-1-ethoxypropan-2-amine?
N-[(5-chloroquinolin-8-yl)methyl]-1-ethoxypropan-2-amine has a molecular weight of 278.78 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloroquinolin-8-yl)methyl]-1-ethoxypropan-2-amine is sourced from PubChem (CID 112699454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).