N-methyl-1-quinolin-4-yl-3-thiophen-2-ylpropan-1-amine

C17H18N2S — CID 105150165

IUPACN-methyl-1-quinolin-4-yl-3-thiophen-2-ylpropan-1-amine
SMILESCNC(CCc1cccs1)c1ccnc2ccccc12
InChIInChI=1S/C17H18N2S/c1-18-16(9-8-13-5-4-12-20-13)15-10-11-19-17-7-3-2-6-14(15)17/h2-7,10-12,16,18H,8-9H2,1H3
InChIKeyNHSVPCZWBPRTPD-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.19
Rot. Bonds5

About N-methyl-1-quinolin-4-yl-3-thiophen-2-ylpropan-1-amine

N-methyl-1-quinolin-4-yl-3-thiophen-2-ylpropan-1-amine (PubChem CID 105150165) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-methyl-1-quinolin-4-yl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-1-quinolin-4-yl-3-thiophen-2-ylpropan-1-amine
PubChem CID105150165
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC NameN-methyl-1-quinolin-4-yl-3-thiophen-2-ylpropan-1-amine
SMILESCNC(CCc1cccs1)c1ccnc2ccccc12
InChIInChI=1S/C17H18N2S/c1-18-16(9-8-13-5-4-12-20-13)15-10-11-19-17-7-3-2-6-14(15)17/h2-7,10-12,16,18H,8-9H2,1H3
InChIKeyNHSVPCZWBPRTPD-UHFFFAOYSA-N
XLogP4.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-quinolin-4-yl-3-thiophen-2-ylpropyl)hydrazine
CID 105308809
2-methoxy-N-methyl-1-quinolin-4-ylethanamine
CID 105165529
N-methyl-1-quinolin-4-yloctan-1-amine
CID 105124579
N-methyl-1-(3-methyl-2-pyridinyl)-3-thiophen-2-ylpropan-1-amine
CID 55236710
N-methyl-1-quinolin-4-yloct-7-en-1-amine
CID 107011594
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-4-ylethanamine
CID 105171422
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-3-thiophen-2-ylpropan-1-amine
CID 105150397
N-methyl-1-pyrazolo[1,5-a]pyridin-3-yl-3-thiophen-2-ylpropan-1-amine
CID 103127224
1-(2,5-dibromophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 115861201
N-ethyl-1-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine
CID 63776349
2-(4-iodophenyl)-N-methyl-1-quinolin-4-ylethanamine
CID 105151840
N-methyl-2-(2-methyltetrazol-5-yl)-1-quinolin-4-ylethanamine
CID 107065105

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-quinolin-4-yl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-methyl-1-quinolin-4-yl-3-thiophen-2-ylpropan-1-amine (CID 105150165) is N-methyl-1-quinolin-4-yl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-methyl-1-quinolin-4-yl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-methyl-1-quinolin-4-yl-3-thiophen-2-ylpropan-1-amine is CNC(CCc1cccs1)c1ccnc2ccccc12.
What is the InChIKey of N-methyl-1-quinolin-4-yl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is NHSVPCZWBPRTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-18-16(9-8-13-5-4-12-20-13)15-10-11-19-17-7-3-2-6-14(15)17/h2-7,10-12,16,18H,8-9H2,1H3.
What are the key properties of N-methyl-1-quinolin-4-yl-3-thiophen-2-ylpropan-1-amine?
N-methyl-1-quinolin-4-yl-3-thiophen-2-ylpropan-1-amine has a molecular weight of 282.41 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-quinolin-4-yl-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 105150165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).