N-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]cyclopropanamine

C18H18N2S — CID 26275669

IUPACN-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]cyclopropanamine
SMILESCc1cccc2cc(CNC3CC3)c(-c3cccs3)nc12
InChIInChI=1S/C18H18N2S/c1-12-4-2-5-13-10-14(11-19-15-7-8-15)18(20-17(12)13)16-6-3-9-21-16/h2-6,9-10,15,19H,7-8,11H2,1H3
InChIKeyYLGRRJVBTBLXLY-UHFFFAOYSA-N
MW294.42 g/mol
LogP4.52
Rot. Bonds4

About N-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]cyclopropanamine

N-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]cyclopropanamine (PubChem CID 26275669) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]cyclopropanamine
PubChem CID26275669
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC NameN-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]cyclopropanamine
SMILESCc1cccc2cc(CNC3CC3)c(-c3cccs3)nc12
InChIInChI=1S/C18H18N2S/c1-12-4-2-5-13-10-14(11-19-15-7-8-15)18(20-17(12)13)16-6-3-9-21-16/h2-6,9-10,15,19H,7-8,11H2,1H3
InChIKeyYLGRRJVBTBLXLY-UHFFFAOYSA-N
XLogP4.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]cyclopropanamine (CID 26275669) is N-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]cyclopropanamine is Cc1cccc2cc(CNC3CC3)c(-c3cccs3)nc12.
What is the InChIKey of N-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]cyclopropanamine?
The InChIKey is YLGRRJVBTBLXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-12-4-2-5-13-10-14(11-19-15-7-8-15)18(20-17(12)13)16-6-3-9-21-16/h2-6,9-10,15,19H,7-8,11H2,1H3.
What are the key properties of N-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]cyclopropanamine?
N-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]cyclopropanamine has a molecular weight of 294.42 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]cyclopropanamine is sourced from PubChem (CID 26275669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).