N-[(3-bromothiophen-2-yl)methyl]-8-methylquinolin-5-amine

C15H13BrN2S — CID 115380059

IUPACN-[(3-bromothiophen-2-yl)methyl]-8-methylquinolin-5-amine
SMILESCc1ccc(NCc2sccc2Br)c2cccnc12
InChIInChI=1S/C15H13BrN2S/c1-10-4-5-13(11-3-2-7-17-15(10)11)18-9-14-12(16)6-8-19-14/h2-8,18H,9H2,1H3
InChIKeyVXYDPWOLYIBBEZ-UHFFFAOYSA-N
MW333.25 g/mol
LogP4.98
Rot. Bonds3

About N-[(3-bromothiophen-2-yl)methyl]-8-methylquinolin-5-amine

N-[(3-bromothiophen-2-yl)methyl]-8-methylquinolin-5-amine (PubChem CID 115380059) has the molecular formula C15H13BrN2S and a molecular weight of 333.25 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-8-methylquinolin-5-amine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-8-methylquinolin-5-amine
PubChem CID115380059
Molecular FormulaC15H13BrN2S
Molecular Weight333.25 g/mol
Exact Mass332.00
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-8-methylquinolin-5-amine
SMILESCc1ccc(NCc2sccc2Br)c2cccnc12
InChIInChI=1S/C15H13BrN2S/c1-10-4-5-13(11-3-2-7-17-15(10)11)18-9-14-12(16)6-8-19-14/h2-8,18H,9H2,1H3
InChIKeyVXYDPWOLYIBBEZ-UHFFFAOYSA-N
XLogP4.98
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.25
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromothiophen-2-yl)methyl]-5-chloroquinolin-8-amine
CID 115380155
N-[(4-bromo-3-fluorophenyl)methyl]-8-methylquinolin-5-amine
CID 81431405
4-bromo-N-[(3-bromothiophen-2-yl)methyl]-2-methylaniline
CID 63488263
4-[[(8-methylquinolin-5-yl)amino]methyl]phenol
CID 43731510
N-[(3-bromothiophen-2-yl)methyl]-1-(3-methyl-2-pyridinyl)methanamine
CID 63305848
2-bromo-N-[(3-bromothiophen-2-yl)methyl]-4-methylaniline
CID 63490139
N-[(4-fluoro-2-methylphenyl)methyl]-8-methylquinolin-5-amine
CID 62134419
8-methyl-N-[(1-methyltriazol-4-yl)methyl]quinolin-5-amine
CID 55113701
N-[(2,3-dichlorophenyl)methyl]-8-methylquinolin-5-amine
CID 43731505
N-[(1-ethylpyrrol-3-yl)methyl]-8-methylquinolin-5-amine
CID 66414166
8-methyl-N-[(3-methyltriazol-4-yl)methyl]quinolin-5-amine
CID 115743584
N-[(3-bromothiophen-2-yl)methyl]-2-chloro-4-methylaniline
CID 63488835

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-8-methylquinolin-5-amine?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-8-methylquinolin-5-amine (CID 115380059) is N-[(3-bromothiophen-2-yl)methyl]-8-methylquinolin-5-amine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-8-methylquinolin-5-amine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-8-methylquinolin-5-amine is Cc1ccc(NCc2sccc2Br)c2cccnc12.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-8-methylquinolin-5-amine?
The InChIKey is VXYDPWOLYIBBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2S/c1-10-4-5-13(11-3-2-7-17-15(10)11)18-9-14-12(16)6-8-19-14/h2-8,18H,9H2,1H3.
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-8-methylquinolin-5-amine?
N-[(3-bromothiophen-2-yl)methyl]-8-methylquinolin-5-amine has a molecular weight of 333.25 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]-8-methylquinolin-5-amine is sourced from PubChem (CID 115380059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).