N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]cyclopropanamine

C17H15FN2S — CID 25292365

IUPACN-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]cyclopropanamine
SMILESFc1ccc2cc(CNC3CC3)c(-c3ccsc3)nc2c1
InChIInChI=1S/C17H15FN2S/c18-14-2-1-11-7-13(9-19-15-3-4-15)17(20-16(11)8-14)12-5-6-21-10-12/h1-2,5-8,10,15,19H,3-4,9H2
InChIKeyKRLBFEKICGALOF-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.35
Rot. Bonds4

About N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]cyclopropanamine

N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]cyclopropanamine (PubChem CID 25292365) has the molecular formula C17H15FN2S and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]cyclopropanamine
PubChem CID25292365
Molecular FormulaC17H15FN2S
Molecular Weight298.39 g/mol
Exact Mass298.09
IUPAC NameN-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]cyclopropanamine
SMILESFc1ccc2cc(CNC3CC3)c(-c3ccsc3)nc2c1
InChIInChI=1S/C17H15FN2S/c18-14-2-1-11-7-13(9-19-15-3-4-15)17(20-16(11)8-14)12-5-6-21-10-12/h1-2,5-8,10,15,19H,3-4,9H2
InChIKeyKRLBFEKICGALOF-UHFFFAOYSA-N
XLogP4.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]-2-(2-methoxyphenyl)ethanamine
CID 31016911
2,2-dimethyl-N-[(6-thiophen-3-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]oxan-4-amine
CID 45235335
N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]-2-(3-methoxyphenyl)ethanamine
CID 29085678
N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-2-thiophen-3-ylacetamide
CID 42277304
N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 42167773
2-(cyclohexen-1-yl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]ethanamine
CID 26347940
N-[(2-thiophen-3-ylquinolin-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 24969792
1-[[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 56856883
N-[(2-chloro-4-fluorophenyl)methyl]thian-4-amine
CID 115732355
N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]cyclopropanamine
CID 55240971
N-[[2-(2,4-difluorophenyl)sulfanyl-5-fluorophenyl]methyl]cyclopropanamine
CID 63807461
N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 107696407

Frequently Asked Questions

What is the IUPAC name of N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]cyclopropanamine (CID 25292365) is N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]cyclopropanamine is Fc1ccc2cc(CNC3CC3)c(-c3ccsc3)nc2c1.
What is the InChIKey of N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]cyclopropanamine?
The InChIKey is KRLBFEKICGALOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2S/c18-14-2-1-11-7-13(9-19-15-3-4-15)17(20-16(11)8-14)12-5-6-21-10-12/h1-2,5-8,10,15,19H,3-4,9H2.
What are the key properties of N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]cyclopropanamine?
N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]cyclopropanamine has a molecular weight of 298.39 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]cyclopropanamine is sourced from PubChem (CID 25292365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).