2-([1]benzofuro[2,3-c]quinolin-6-ylsulfanyl)-N,N-dimethylethanamine

C19H18N2OS — CID 10336267

IUPAC2-([1]benzofuro[2,3-c]quinolin-6-ylsulfanyl)-N,N-dimethylethanamine
SMILESCN(C)CCSc1nc2ccccc2c2c1oc1ccccc12
InChIInChI=1S/C19H18N2OS/c1-21(2)11-12-23-19-18-17(13-7-3-5-9-15(13)20-19)14-8-4-6-10-16(14)22-18/h3-10H,11-12H2,1-2H3
InChIKeyQIDBUITXCXBONT-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.79
Rot. Bonds4

About 2-([1]benzofuro[2,3-c]quinolin-6-ylsulfanyl)-N,N-dimethylethanamine

2-([1]benzofuro[2,3-c]quinolin-6-ylsulfanyl)-N,N-dimethylethanamine (PubChem CID 10336267) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is 2-([1]benzofuro[2,3-c]quinolin-6-ylsulfanyl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-([1]benzofuro[2,3-c]quinolin-6-ylsulfanyl)-N,N-dimethylethanamine
PubChem CID10336267
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC Name2-([1]benzofuro[2,3-c]quinolin-6-ylsulfanyl)-N,N-dimethylethanamine
SMILESCN(C)CCSc1nc2ccccc2c2c1oc1ccccc12
InChIInChI=1S/C19H18N2OS/c1-21(2)11-12-23-19-18-17(13-7-3-5-9-15(13)20-19)14-8-4-6-10-16(14)22-18/h3-10H,11-12H2,1-2H3
InChIKeyQIDBUITXCXBONT-UHFFFAOYSA-N
XLogP4.79
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-([1]benzofuro[2,3-c]quinolin-6-ylsulfanyl)-N,N-dimethylethanamine?
The IUPAC name of 2-([1]benzofuro[2,3-c]quinolin-6-ylsulfanyl)-N,N-dimethylethanamine (CID 10336267) is 2-([1]benzofuro[2,3-c]quinolin-6-ylsulfanyl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-([1]benzofuro[2,3-c]quinolin-6-ylsulfanyl)-N,N-dimethylethanamine?
The canonical SMILES for 2-([1]benzofuro[2,3-c]quinolin-6-ylsulfanyl)-N,N-dimethylethanamine is CN(C)CCSc1nc2ccccc2c2c1oc1ccccc12.
What is the InChIKey of 2-([1]benzofuro[2,3-c]quinolin-6-ylsulfanyl)-N,N-dimethylethanamine?
The InChIKey is QIDBUITXCXBONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-21(2)11-12-23-19-18-17(13-7-3-5-9-15(13)20-19)14-8-4-6-10-16(14)22-18/h3-10H,11-12H2,1-2H3.
What are the key properties of 2-([1]benzofuro[2,3-c]quinolin-6-ylsulfanyl)-N,N-dimethylethanamine?
2-([1]benzofuro[2,3-c]quinolin-6-ylsulfanyl)-N,N-dimethylethanamine has a molecular weight of 322.43 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1]benzofuro[2,3-c]quinolin-6-ylsulfanyl)-N,N-dimethylethanamine is sourced from PubChem (CID 10336267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).