N-[(4-bromothiophen-3-yl)methyl]quinolin-3-amine

C14H11BrN2S — CID 112739629

IUPACN-[(4-bromothiophen-3-yl)methyl]quinolin-3-amine
SMILESBrc1cscc1CNc1cnc2ccccc2c1
InChIInChI=1S/C14H11BrN2S/c15-13-9-18-8-11(13)6-16-12-5-10-3-1-2-4-14(10)17-7-12/h1-5,7-9,16H,6H2
InChIKeyVMBAHBHTUFMSPQ-UHFFFAOYSA-N
MW319.23 g/mol
LogP4.67
Rot. Bonds3

About N-[(4-bromothiophen-3-yl)methyl]quinolin-3-amine

N-[(4-bromothiophen-3-yl)methyl]quinolin-3-amine (PubChem CID 112739629) has the molecular formula C14H11BrN2S and a molecular weight of 319.23 g/mol. Its IUPAC name is N-[(4-bromothiophen-3-yl)methyl]quinolin-3-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-3-yl)methyl]quinolin-3-amine
PubChem CID112739629
Molecular FormulaC14H11BrN2S
Molecular Weight319.23 g/mol
Exact Mass317.98
IUPAC NameN-[(4-bromothiophen-3-yl)methyl]quinolin-3-amine
SMILESBrc1cscc1CNc1cnc2ccccc2c1
InChIInChI=1S/C14H11BrN2S/c15-13-9-18-8-11(13)6-16-12-5-10-3-1-2-4-14(10)17-7-12/h1-5,7-9,16H,6H2
InChIKeyVMBAHBHTUFMSPQ-UHFFFAOYSA-N
XLogP4.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-3-yl)methyl]quinolin-3-amine?
The IUPAC name of N-[(4-bromothiophen-3-yl)methyl]quinolin-3-amine (CID 112739629) is N-[(4-bromothiophen-3-yl)methyl]quinolin-3-amine.
What is the SMILES notation for N-[(4-bromothiophen-3-yl)methyl]quinolin-3-amine?
The canonical SMILES for N-[(4-bromothiophen-3-yl)methyl]quinolin-3-amine is Brc1cscc1CNc1cnc2ccccc2c1.
What is the InChIKey of N-[(4-bromothiophen-3-yl)methyl]quinolin-3-amine?
The InChIKey is VMBAHBHTUFMSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2S/c15-13-9-18-8-11(13)6-16-12-5-10-3-1-2-4-14(10)17-7-12/h1-5,7-9,16H,6H2.
What are the key properties of N-[(4-bromothiophen-3-yl)methyl]quinolin-3-amine?
N-[(4-bromothiophen-3-yl)methyl]quinolin-3-amine has a molecular weight of 319.23 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-3-yl)methyl]quinolin-3-amine is sourced from PubChem (CID 112739629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).