N-[(5-bromothiophen-2-yl)-quinolin-6-ylmethyl]propan-1-amine

C17H17BrN2S — CID 78917639

IUPACN-[(5-bromothiophen-2-yl)-quinolin-6-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccc2ncccc2c1)c1ccc(Br)s1
InChIInChI=1S/C17H17BrN2S/c1-2-9-20-17(15-7-8-16(18)21-15)13-5-6-14-12(11-13)4-3-10-19-14/h3-8,10-11,17,20H,2,9H2,1H3
InChIKeyAFAKOFIESVUDFV-UHFFFAOYSA-N
MW361.31 g/mol
LogP5.15
Rot. Bonds5

About N-[(5-bromothiophen-2-yl)-quinolin-6-ylmethyl]propan-1-amine

N-[(5-bromothiophen-2-yl)-quinolin-6-ylmethyl]propan-1-amine (PubChem CID 78917639) has the molecular formula C17H17BrN2S and a molecular weight of 361.31 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)-quinolin-6-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)-quinolin-6-ylmethyl]propan-1-amine
PubChem CID78917639
Molecular FormulaC17H17BrN2S
Molecular Weight361.31 g/mol
Exact Mass360.03
IUPAC NameN-[(5-bromothiophen-2-yl)-quinolin-6-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccc2ncccc2c1)c1ccc(Br)s1
InChIInChI=1S/C17H17BrN2S/c1-2-9-20-17(15-7-8-16(18)21-15)13-5-6-14-12(11-13)4-3-10-19-14/h3-8,10-11,17,20H,2,9H2,1H3
InChIKeyAFAKOFIESVUDFV-UHFFFAOYSA-N
XLogP5.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.31
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[quinolin-6-yl(thiadiazol-5-yl)methyl]propan-1-amine
CID 105172388
N-[(5-chlorothiophen-2-yl)-quinolin-6-ylmethyl]ethanamine
CID 78917810
N-[quinolin-6-yl(thiadiazol-4-yl)methyl]propan-1-amine
CID 105172339
N-[(5-chlorothiophen-2-yl)-quinolin-7-ylmethyl]propan-1-amine
CID 105021397
N-propyl-1-quinolin-6-ylethane-1,2-diamine
CID 63967677
2-(5-bromothiophen-2-yl)-N-ethyl-1-quinolin-6-ylethanamine
CID 63097218
N-[(5-bromothiophen-2-yl)-(3-propylphenyl)methyl]propan-1-amine
CID 116544380
N-[(3-bromo-4-methoxyphenyl)-(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 43493838
N-[(5-bromothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methyl]propan-1-amine
CID 43496753
N-[(5-bromothiophen-2-yl)-(4-butylphenyl)methyl]propan-1-amine
CID 43496386
3,3,3-trifluoro-N-propyl-1-quinolin-6-ylpropan-1-amine
CID 81231447
N-(2-butan-2-ylsulfanyl-1-quinolin-6-ylethyl)propan-1-amine
CID 81228662

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)-quinolin-6-ylmethyl]propan-1-amine?
The IUPAC name of N-[(5-bromothiophen-2-yl)-quinolin-6-ylmethyl]propan-1-amine (CID 78917639) is N-[(5-bromothiophen-2-yl)-quinolin-6-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)-quinolin-6-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)-quinolin-6-ylmethyl]propan-1-amine is CCCNC(c1ccc2ncccc2c1)c1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)-quinolin-6-ylmethyl]propan-1-amine?
The InChIKey is AFAKOFIESVUDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2S/c1-2-9-20-17(15-7-8-16(18)21-15)13-5-6-14-12(11-13)4-3-10-19-14/h3-8,10-11,17,20H,2,9H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)-quinolin-6-ylmethyl]propan-1-amine?
N-[(5-bromothiophen-2-yl)-quinolin-6-ylmethyl]propan-1-amine has a molecular weight of 361.31 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)-quinolin-6-ylmethyl]propan-1-amine is sourced from PubChem (CID 78917639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).