N-[(5-chlorothiophen-2-yl)-quinolin-7-ylmethyl]propan-1-amine

C17H17ClN2S — CID 105021397

IUPACN-[(5-chlorothiophen-2-yl)-quinolin-7-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccc2cccnc2c1)c1ccc(Cl)s1
InChIInChI=1S/C17H17ClN2S/c1-2-9-20-17(15-7-8-16(18)21-15)13-6-5-12-4-3-10-19-14(12)11-13/h3-8,10-11,17,20H,2,9H2,1H3
InChIKeyFMTGBNJEOBPJES-UHFFFAOYSA-N
MW316.86 g/mol
LogP5.04
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)-quinolin-7-ylmethyl]propan-1-amine

N-[(5-chlorothiophen-2-yl)-quinolin-7-ylmethyl]propan-1-amine (PubChem CID 105021397) has the molecular formula C17H17ClN2S and a molecular weight of 316.86 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)-quinolin-7-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)-quinolin-7-ylmethyl]propan-1-amine
PubChem CID105021397
Molecular FormulaC17H17ClN2S
Molecular Weight316.86 g/mol
Exact Mass316.08
IUPAC NameN-[(5-chlorothiophen-2-yl)-quinolin-7-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccc2cccnc2c1)c1ccc(Cl)s1
InChIInChI=1S/C17H17ClN2S/c1-2-9-20-17(15-7-8-16(18)21-15)13-6-5-12-4-3-10-19-14(12)11-13/h3-8,10-11,17,20H,2,9H2,1H3
InChIKeyFMTGBNJEOBPJES-UHFFFAOYSA-N
XLogP5.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.86
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chlorothiophen-2-yl)-quinolin-6-ylmethyl]ethanamine
CID 78917810
N-[(5-bromothiophen-2-yl)-quinolin-6-ylmethyl]propan-1-amine
CID 78917639
N-[furan-2-yl(quinolin-7-yl)methyl]propan-1-amine
CID 81231383
N-[(4-methylthiadiazol-5-yl)-quinolin-7-ylmethyl]propan-1-amine
CID 105172648
2-methyl-N-propyl-1-quinolin-7-ylpropan-1-amine
CID 81220696
N-[(3-bromo-4-ethoxyphenyl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine
CID 104657731
N-methyl-1-(5-methylthiophen-2-yl)-1-quinolin-7-ylmethanamine
CID 105021478
4-[(5-chlorothiophen-2-yl)-(propylamino)methyl]-N,N-dimethylaniline
CID 105173433
N-[(5-chlorothiophen-2-yl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105022772
N-[(3-chlorophenyl)-quinolin-7-ylmethyl]ethanamine
CID 81210398
N-(2-ethylsulfanyl-1-quinolin-7-ylethyl)propan-1-amine
CID 81231399
N-[quinolin-6-yl(thiadiazol-5-yl)methyl]propan-1-amine
CID 105172388

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)-quinolin-7-ylmethyl]propan-1-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)-quinolin-7-ylmethyl]propan-1-amine (CID 105021397) is N-[(5-chlorothiophen-2-yl)-quinolin-7-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)-quinolin-7-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)-quinolin-7-ylmethyl]propan-1-amine is CCCNC(c1ccc2cccnc2c1)c1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)-quinolin-7-ylmethyl]propan-1-amine?
The InChIKey is FMTGBNJEOBPJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2S/c1-2-9-20-17(15-7-8-16(18)21-15)13-6-5-12-4-3-10-19-14(12)11-13/h3-8,10-11,17,20H,2,9H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)-quinolin-7-ylmethyl]propan-1-amine?
N-[(5-chlorothiophen-2-yl)-quinolin-7-ylmethyl]propan-1-amine has a molecular weight of 316.86 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)-quinolin-7-ylmethyl]propan-1-amine is sourced from PubChem (CID 105021397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).