N-[(5-chloroquinolin-8-yl)methyl]-2,3-dimethyloxolan-3-amine

C16H19ClN2O — CID 103581109

IUPACN-[(5-chloroquinolin-8-yl)methyl]-2,3-dimethyloxolan-3-amine
SMILESCC1OCCC1(C)NCc1ccc(Cl)c2cccnc12
InChIInChI=1S/C16H19ClN2O/c1-11-16(2,7-9-20-11)19-10-12-5-6-14(17)13-4-3-8-18-15(12)13/h3-6,8,11,19H,7,9-10H2,1-2H3
InChIKeyMEDCMDRNPVORQI-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.55
Rot. Bonds3

About N-[(5-chloroquinolin-8-yl)methyl]-2,3-dimethyloxolan-3-amine

N-[(5-chloroquinolin-8-yl)methyl]-2,3-dimethyloxolan-3-amine (PubChem CID 103581109) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is N-[(5-chloroquinolin-8-yl)methyl]-2,3-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-[(5-chloroquinolin-8-yl)methyl]-2,3-dimethyloxolan-3-amine
PubChem CID103581109
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC NameN-[(5-chloroquinolin-8-yl)methyl]-2,3-dimethyloxolan-3-amine
SMILESCC1OCCC1(C)NCc1ccc(Cl)c2cccnc12
InChIInChI=1S/C16H19ClN2O/c1-11-16(2,7-9-20-11)19-10-12-5-6-14(17)13-4-3-8-18-15(12)13/h3-6,8,11,19H,7,9-10H2,1-2H3
InChIKeyMEDCMDRNPVORQI-UHFFFAOYSA-N
XLogP3.55
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloroquinolin-8-yl)methyl]-2,3-dimethyloxolan-3-amine?
The IUPAC name of N-[(5-chloroquinolin-8-yl)methyl]-2,3-dimethyloxolan-3-amine (CID 103581109) is N-[(5-chloroquinolin-8-yl)methyl]-2,3-dimethyloxolan-3-amine.
What is the SMILES notation for N-[(5-chloroquinolin-8-yl)methyl]-2,3-dimethyloxolan-3-amine?
The canonical SMILES for N-[(5-chloroquinolin-8-yl)methyl]-2,3-dimethyloxolan-3-amine is CC1OCCC1(C)NCc1ccc(Cl)c2cccnc12.
What is the InChIKey of N-[(5-chloroquinolin-8-yl)methyl]-2,3-dimethyloxolan-3-amine?
The InChIKey is MEDCMDRNPVORQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-11-16(2,7-9-20-11)19-10-12-5-6-14(17)13-4-3-8-18-15(12)13/h3-6,8,11,19H,7,9-10H2,1-2H3.
What are the key properties of N-[(5-chloroquinolin-8-yl)methyl]-2,3-dimethyloxolan-3-amine?
N-[(5-chloroquinolin-8-yl)methyl]-2,3-dimethyloxolan-3-amine has a molecular weight of 290.79 g/mol, XLogP of 3.55, 3 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]-2,3-dimethyloxolan-3-amine is sourced from PubChem (CID 103581109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).