(5-chlorothiophen-2-yl)-quinolin-5-ylmethanamine

C14H11ClN2S — CID 115604916

IUPAC(5-chlorothiophen-2-yl)-quinolin-5-ylmethanamine
SMILESNC(c1ccc(Cl)s1)c1cccc2ncccc12
InChIInChI=1S/C14H11ClN2S/c15-13-7-6-12(18-13)14(16)10-3-1-5-11-9(10)4-2-8-17-11/h1-8,14H,16H2
InChIKeyWJLUTHDUULDVML-UHFFFAOYSA-N
MW274.78 g/mol
LogP4.00
Rot. Bonds2

About (5-chlorothiophen-2-yl)-quinolin-5-ylmethanamine

(5-chlorothiophen-2-yl)-quinolin-5-ylmethanamine (PubChem CID 115604916) has the molecular formula C14H11ClN2S and a molecular weight of 274.78 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-quinolin-5-ylmethanamine.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-quinolin-5-ylmethanamine
PubChem CID115604916
Molecular FormulaC14H11ClN2S
Molecular Weight274.78 g/mol
Exact Mass274.03
IUPAC Name(5-chlorothiophen-2-yl)-quinolin-5-ylmethanamine
SMILESNC(c1ccc(Cl)s1)c1cccc2ncccc12
InChIInChI=1S/C14H11ClN2S/c15-13-7-6-12(18-13)14(16)10-3-1-5-11-9(10)4-2-8-17-11/h1-8,14H,16H2
InChIKeyWJLUTHDUULDVML-UHFFFAOYSA-N
XLogP4.00
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.78
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chlorothiophen-2-yl)-1-quinolin-5-ylethanamine
CID 105135125
(2-chlorophenyl)-quinolin-5-ylmethanamine
CID 81231454
quinolin-5-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106785673
(5-bromo-4-methylthiophen-2-yl)-quinolin-5-ylmethanamine
CID 105020248
(5-chlorothiophen-2-yl)-(2,3-dimethoxyphenyl)methanamine
CID 105173410
(3-chloro-2-pyridinyl)-(5-chlorothiophen-2-yl)methanamine
CID 103443950
(2-chloro-5-fluorophenyl)-quinolin-5-ylmethanamine
CID 105396959
(1R)-1-quinolin-5-ylethanamine
CID 55277010
2-(2,6-dichlorophenyl)-1-quinolin-5-ylethanamine
CID 81227860
1-benzothiophen-3-yl(quinolin-5-yl)methanamine
CID 115604927
quinolin-5-yl(thiadiazol-4-yl)methanamine
CID 105171903
(4-chloro-3-methoxyphenyl)-quinolin-5-ylmethanamine
CID 105164518

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-quinolin-5-ylmethanamine?
The IUPAC name of (5-chlorothiophen-2-yl)-quinolin-5-ylmethanamine (CID 115604916) is (5-chlorothiophen-2-yl)-quinolin-5-ylmethanamine.
What is the SMILES notation for (5-chlorothiophen-2-yl)-quinolin-5-ylmethanamine?
The canonical SMILES for (5-chlorothiophen-2-yl)-quinolin-5-ylmethanamine is NC(c1ccc(Cl)s1)c1cccc2ncccc12.
What is the InChIKey of (5-chlorothiophen-2-yl)-quinolin-5-ylmethanamine?
The InChIKey is WJLUTHDUULDVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2S/c15-13-7-6-12(18-13)14(16)10-3-1-5-11-9(10)4-2-8-17-11/h1-8,14H,16H2.
What are the key properties of (5-chlorothiophen-2-yl)-quinolin-5-ylmethanamine?
(5-chlorothiophen-2-yl)-quinolin-5-ylmethanamine has a molecular weight of 274.78 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-quinolin-5-ylmethanamine is sourced from PubChem (CID 115604916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).