N-[(2-thiomorpholin-4-ylquinolin-3-yl)methyl]cyclopropanamine

C17H21N3S — CID 43281437

IUPACN-[(2-thiomorpholin-4-ylquinolin-3-yl)methyl]cyclopropanamine
SMILESc1ccc2nc(N3CCSCC3)c(CNC3CC3)cc2c1
InChIInChI=1S/C17H21N3S/c1-2-4-16-13(3-1)11-14(12-18-15-5-6-15)17(19-16)20-7-9-21-10-8-20/h1-4,11,15,18H,5-10,12H2
InChIKeyYHEGEGCTKFXBEZ-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.04
Rot. Bonds4

About N-[(2-thiomorpholin-4-ylquinolin-3-yl)methyl]cyclopropanamine

N-[(2-thiomorpholin-4-ylquinolin-3-yl)methyl]cyclopropanamine (PubChem CID 43281437) has the molecular formula C17H21N3S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-[(2-thiomorpholin-4-ylquinolin-3-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-thiomorpholin-4-ylquinolin-3-yl)methyl]cyclopropanamine
PubChem CID43281437
Molecular FormulaC17H21N3S
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC NameN-[(2-thiomorpholin-4-ylquinolin-3-yl)methyl]cyclopropanamine
SMILESc1ccc2nc(N3CCSCC3)c(CNC3CC3)cc2c1
InChIInChI=1S/C17H21N3S/c1-2-4-16-13(3-1)11-14(12-18-15-5-6-15)17(19-16)20-7-9-21-10-8-20/h1-4,11,15,18H,5-10,12H2
InChIKeyYHEGEGCTKFXBEZ-UHFFFAOYSA-N
XLogP3.04
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-piperidin-1-ylquinolin-3-yl)methyl]cyclopropanamine
CID 43281135
1-cyclopropyl-N-[(2-piperidin-1-ylquinolin-3-yl)methyl]piperidin-4-amine
CID 119106658
N-[(2-imidazol-1-ylquinolin-3-yl)methyl]cyclopropanamine
CID 43282124
N-[(2-thiomorpholin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]cyclopropanamine
CID 43478365
N-[(2-thiomorpholin-4-ylphenyl)methyl]cyclopropanamine
CID 43281422
N-[(4-thiomorpholin-4-ylquinolin-2-yl)methyl]cyclopropanamine
CID 63373997
N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-methylquinolin-2-amine
CID 43281662
N-methyl-1-(2-piperidin-1-ylquinolin-3-yl)methanamine
CID 43281139
1-[2-(azocan-1-yl)quinolin-3-yl]-N-methylmethanamine
CID 43281388
3-[(cyclopropylamino)methyl]-N,N-diethylquinolin-2-amine
CID 43280349
1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)quinolin-3-yl]-N-methylmethanamine
CID 115560704
(3R)-N-[(2-methoxyquinolin-3-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 42508304

Frequently Asked Questions

What is the IUPAC name of N-[(2-thiomorpholin-4-ylquinolin-3-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-thiomorpholin-4-ylquinolin-3-yl)methyl]cyclopropanamine (CID 43281437) is N-[(2-thiomorpholin-4-ylquinolin-3-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-thiomorpholin-4-ylquinolin-3-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-thiomorpholin-4-ylquinolin-3-yl)methyl]cyclopropanamine is c1ccc2nc(N3CCSCC3)c(CNC3CC3)cc2c1.
What is the InChIKey of N-[(2-thiomorpholin-4-ylquinolin-3-yl)methyl]cyclopropanamine?
The InChIKey is YHEGEGCTKFXBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S/c1-2-4-16-13(3-1)11-14(12-18-15-5-6-15)17(19-16)20-7-9-21-10-8-20/h1-4,11,15,18H,5-10,12H2.
What are the key properties of N-[(2-thiomorpholin-4-ylquinolin-3-yl)methyl]cyclopropanamine?
N-[(2-thiomorpholin-4-ylquinolin-3-yl)methyl]cyclopropanamine has a molecular weight of 299.44 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-thiomorpholin-4-ylquinolin-3-yl)methyl]cyclopropanamine is sourced from PubChem (CID 43281437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).