1-(5-chloroquinolin-8-yl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine

C16H22ClN3O — CID 115959539

IUPAC1-(5-chloroquinolin-8-yl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine
SMILESCOCC(C)N(C)C(CN)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C16H22ClN3O/c1-11(10-21-3)20(2)15(9-18)13-6-7-14(17)12-5-4-8-19-16(12)13/h4-8,11,15H,9-10,18H2,1-3H3
InChIKeyDHGJMVOENPXSBT-UHFFFAOYSA-N
MW307.82 g/mol
LogP2.85
Rot. Bonds6

About 1-(5-chloroquinolin-8-yl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine

1-(5-chloroquinolin-8-yl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine (PubChem CID 115959539) has the molecular formula C16H22ClN3O and a molecular weight of 307.82 g/mol. Its IUPAC name is 1-(5-chloroquinolin-8-yl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-chloroquinolin-8-yl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine
PubChem CID115959539
Molecular FormulaC16H22ClN3O
Molecular Weight307.82 g/mol
Exact Mass307.15
IUPAC Name1-(5-chloroquinolin-8-yl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine
SMILESCOCC(C)N(C)C(CN)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C16H22ClN3O/c1-11(10-21-3)20(2)15(9-18)13-6-7-14(17)12-5-4-8-19-16(12)13/h4-8,11,15H,9-10,18H2,1-3H3
InChIKeyDHGJMVOENPXSBT-UHFFFAOYSA-N
XLogP2.85
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloroquinolin-8-yl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine?
The IUPAC name of 1-(5-chloroquinolin-8-yl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine (CID 115959539) is 1-(5-chloroquinolin-8-yl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(5-chloroquinolin-8-yl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(5-chloroquinolin-8-yl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine is COCC(C)N(C)C(CN)c1ccc(Cl)c2cccnc12.
What is the InChIKey of 1-(5-chloroquinolin-8-yl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine?
The InChIKey is DHGJMVOENPXSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-11(10-21-3)20(2)15(9-18)13-6-7-14(17)12-5-4-8-19-16(12)13/h4-8,11,15H,9-10,18H2,1-3H3.
What are the key properties of 1-(5-chloroquinolin-8-yl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine?
1-(5-chloroquinolin-8-yl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine has a molecular weight of 307.82 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloroquinolin-8-yl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 115959539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).