N-[(5-chlorothiophen-2-yl)methyl]quinolin-3-amine

C14H11ClN2S — CID 43691132

IUPACN-[(5-chlorothiophen-2-yl)methyl]quinolin-3-amine
SMILESClc1ccc(CNc2cnc3ccccc3c2)s1
InChIInChI=1S/C14H11ClN2S/c15-14-6-5-12(18-14)9-16-11-7-10-3-1-2-4-13(10)17-8-11/h1-8,16H,9H2
InChIKeyRZDNVVSPQMKPQT-UHFFFAOYSA-N
MW274.78 g/mol
LogP4.56
Rot. Bonds3

About N-[(5-chlorothiophen-2-yl)methyl]quinolin-3-amine

N-[(5-chlorothiophen-2-yl)methyl]quinolin-3-amine (PubChem CID 43691132) has the molecular formula C14H11ClN2S and a molecular weight of 274.78 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]quinolin-3-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]quinolin-3-amine
PubChem CID43691132
Molecular FormulaC14H11ClN2S
Molecular Weight274.78 g/mol
Exact Mass274.03
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]quinolin-3-amine
SMILESClc1ccc(CNc2cnc3ccccc3c2)s1
InChIInChI=1S/C14H11ClN2S/c15-14-6-5-12(18-14)9-16-11-7-10-3-1-2-4-13(10)17-8-11/h1-8,16H,9H2
InChIKeyRZDNVVSPQMKPQT-UHFFFAOYSA-N
XLogP4.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.78
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]quinolin-6-amine
CID 62636140
N-[(5-chloro-1,3-thiazol-2-yl)methyl]quinolin-3-amine
CID 104877930
N-[(4-bromothiophen-2-yl)methyl]quinolin-3-amine
CID 43691316
N-[(5-chlorothiophen-2-yl)methyl]-2-quinolin-3-yloxyethanamine
CID 107387936
N-[(4-chloro-2-fluorophenyl)methyl]quinolin-3-amine
CID 114841721
6-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridin-3-amine
CID 115925207
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-quinolin-3-ylaniline
CID 168581849
N-[(4-ethylphenyl)methyl]quinolin-3-amine
CID 43691167
N-[(4-bromothiophen-3-yl)methyl]quinolin-3-amine
CID 112739629
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinolin-3-amine
CID 43691291
N-(1-benzothiophen-3-ylmethyl)quinolin-3-amine
CID 62699615
N-[(2-ethoxyphenyl)methyl]quinolin-3-amine
CID 43691162

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]quinolin-3-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]quinolin-3-amine (CID 43691132) is N-[(5-chlorothiophen-2-yl)methyl]quinolin-3-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]quinolin-3-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]quinolin-3-amine is Clc1ccc(CNc2cnc3ccccc3c2)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]quinolin-3-amine?
The InChIKey is RZDNVVSPQMKPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2S/c15-14-6-5-12(18-14)9-16-11-7-10-3-1-2-4-13(10)17-8-11/h1-8,16H,9H2.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]quinolin-3-amine?
N-[(5-chlorothiophen-2-yl)methyl]quinolin-3-amine has a molecular weight of 274.78 g/mol, XLogP of 4.56, 3 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)methyl]quinolin-3-amine is sourced from PubChem (CID 43691132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).