N-[(4-bromothiophen-2-yl)methyl]quinolin-3-amine

C14H11BrN2S — CID 43691316

IUPACN-[(4-bromothiophen-2-yl)methyl]quinolin-3-amine
SMILESBrc1csc(CNc2cnc3ccccc3c2)c1
InChIInChI=1S/C14H11BrN2S/c15-11-6-13(18-9-11)8-16-12-5-10-3-1-2-4-14(10)17-7-12/h1-7,9,16H,8H2
InChIKeyBBLXJDODSYUMEY-UHFFFAOYSA-N
MW319.23 g/mol
LogP4.67
Rot. Bonds3

About N-[(4-bromothiophen-2-yl)methyl]quinolin-3-amine

N-[(4-bromothiophen-2-yl)methyl]quinolin-3-amine (PubChem CID 43691316) has the molecular formula C14H11BrN2S and a molecular weight of 319.23 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]quinolin-3-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]quinolin-3-amine
PubChem CID43691316
Molecular FormulaC14H11BrN2S
Molecular Weight319.23 g/mol
Exact Mass317.98
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]quinolin-3-amine
SMILESBrc1csc(CNc2cnc3ccccc3c2)c1
InChIInChI=1S/C14H11BrN2S/c15-11-6-13(18-9-11)8-16-12-5-10-3-1-2-4-14(10)17-7-12/h1-7,9,16H,8H2
InChIKeyBBLXJDODSYUMEY-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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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]naphthalen-2-amine
CID 43680355
N-[(4-bromothiophen-3-yl)methyl]quinolin-3-amine
CID 112739629
N-[(5-chlorothiophen-2-yl)methyl]quinolin-3-amine
CID 43691132
N-(1-benzothiophen-3-ylmethyl)quinolin-3-amine
CID 62699615
N-[(4-bromo-3-fluorophenyl)methyl]quinolin-3-amine
CID 81436143
N-[(4-ethylphenyl)methyl]quinolin-3-amine
CID 43691167
N-[(5-chloro-1,3-thiazol-2-yl)methyl]quinolin-3-amine
CID 104877930
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinolin-3-amine
CID 43691291
2-(quinolin-3-ylamino)acetaldehyde
CID 119094980
2-[(quinolin-3-ylamino)methyl]benzonitrile
CID 104694112
N-[(2-ethoxyphenyl)methyl]quinolin-3-amine
CID 43691162
N-[(4-chloro-2-fluorophenyl)methyl]quinolin-3-amine
CID 114841721

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]quinolin-3-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]quinolin-3-amine (CID 43691316) is N-[(4-bromothiophen-2-yl)methyl]quinolin-3-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]quinolin-3-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]quinolin-3-amine is Brc1csc(CNc2cnc3ccccc3c2)c1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]quinolin-3-amine?
The InChIKey is BBLXJDODSYUMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2S/c15-11-6-13(18-9-11)8-16-12-5-10-3-1-2-4-14(10)17-7-12/h1-7,9,16H,8H2.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]quinolin-3-amine?
N-[(4-bromothiophen-2-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-2-yl)methyl]quinolin-3-amine is sourced from PubChem (CID 43691316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).