N-[(5-chlorothiophen-2-yl)methyl]quinolin-6-amine

C14H11ClN2S — CID 62636140

IUPACN-[(5-chlorothiophen-2-yl)methyl]quinolin-6-amine
SMILESClc1ccc(CNc2ccc3ncccc3c2)s1
InChIInChI=1S/C14H11ClN2S/c15-14-6-4-12(18-14)9-17-11-3-5-13-10(8-11)2-1-7-16-13/h1-8,17H,9H2
InChIKeyQSJFUCVLWNPTNQ-UHFFFAOYSA-N
MW274.78 g/mol
LogP4.56
Rot. Bonds3

About N-[(5-chlorothiophen-2-yl)methyl]quinolin-6-amine

N-[(5-chlorothiophen-2-yl)methyl]quinolin-6-amine (PubChem CID 62636140) 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-6-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]quinolin-6-amine
PubChem CID62636140
Molecular FormulaC14H11ClN2S
Molecular Weight274.78 g/mol
Exact Mass274.03
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]quinolin-6-amine
SMILESClc1ccc(CNc2ccc3ncccc3c2)s1
InChIInChI=1S/C14H11ClN2S/c15-14-6-4-12(18-14)9-17-11-3-5-13-10(8-11)2-1-7-16-13/h1-8,17H,9H2
InChIKeyQSJFUCVLWNPTNQ-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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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]quinolin-6-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]quinolin-6-amine (CID 62636140) is N-[(5-chlorothiophen-2-yl)methyl]quinolin-6-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]quinolin-6-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]quinolin-6-amine is Clc1ccc(CNc2ccc3ncccc3c2)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]quinolin-6-amine?
The InChIKey is QSJFUCVLWNPTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2S/c15-14-6-4-12(18-14)9-17-11-3-5-13-10(8-11)2-1-7-16-13/h1-8,17H,9H2.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]quinolin-6-amine?
N-[(5-chlorothiophen-2-yl)methyl]quinolin-6-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-6-amine is sourced from PubChem (CID 62636140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).