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

C14H10BrClN2S — CID 115380155

IUPACN-[(3-bromothiophen-2-yl)methyl]-5-chloroquinolin-8-amine
SMILESClc1ccc(NCc2sccc2Br)c2ncccc12
InChIInChI=1S/C14H10BrClN2S/c15-10-5-7-19-13(10)8-18-12-4-3-11(16)9-2-1-6-17-14(9)12/h1-7,18H,8H2
InChIKeyWSYCYBVKJFRNMV-UHFFFAOYSA-N
MW353.67 g/mol
LogP5.32
Rot. Bonds3

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

N-[(3-bromothiophen-2-yl)methyl]-5-chloroquinolin-8-amine (PubChem CID 115380155) has the molecular formula C14H10BrClN2S and a molecular weight of 353.67 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-5-chloroquinolin-8-amine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-5-chloroquinolin-8-amine
PubChem CID115380155
Molecular FormulaC14H10BrClN2S
Molecular Weight353.67 g/mol
Exact Mass351.94
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-5-chloroquinolin-8-amine
SMILESClc1ccc(NCc2sccc2Br)c2ncccc12
InChIInChI=1S/C14H10BrClN2S/c15-10-5-7-19-13(10)8-18-12-4-3-11(16)9-2-1-6-17-14(9)12/h1-7,18H,8H2
InChIKeyWSYCYBVKJFRNMV-UHFFFAOYSA-N
XLogP5.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.67
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromothiophen-2-yl)methyl]-8-methylquinolin-5-amine
CID 115380059
3-[[(5-chloroquinolin-8-yl)amino]methyl]thiophene-2-carboxylic acid
CID 103267146
5-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-8-amine
CID 54862876
5-chloro-N-[(5-methylthiophen-2-yl)methyl]quinolin-8-amine
CID 54862962
5-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine
CID 60928600
4-[[(5-chloroquinolin-8-yl)amino]methyl]benzonitrile
CID 60927125
4-bromo-2-chloro-N-[(5-chloroquinolin-8-yl)methyl]aniline
CID 115959103
2-[(5-chloroquinolin-8-yl)amino]acetic acid
CID 116783965
N-[(3-bromothiophen-2-yl)methyl]-2-chloro-4-methylaniline
CID 63488835
2-[(5-chloroquinolin-8-yl)amino]ethanesulfonamide
CID 114384833
5-chloro-N-[(1-methylpyrazol-3-yl)methyl]quinolin-8-amine
CID 116783860
5-chloro-N-[(2,5-difluorophenyl)methyl]quinolin-8-amine
CID 60927464

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-5-chloroquinolin-8-amine?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-5-chloroquinolin-8-amine (CID 115380155) is N-[(3-bromothiophen-2-yl)methyl]-5-chloroquinolin-8-amine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-5-chloroquinolin-8-amine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-5-chloroquinolin-8-amine is Clc1ccc(NCc2sccc2Br)c2ncccc12.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-5-chloroquinolin-8-amine?
The InChIKey is WSYCYBVKJFRNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2S/c15-10-5-7-19-13(10)8-18-12-4-3-11(16)9-2-1-6-17-14(9)12/h1-7,18H,8H2.
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-5-chloroquinolin-8-amine?
N-[(3-bromothiophen-2-yl)methyl]-5-chloroquinolin-8-amine has a molecular weight of 353.67 g/mol, XLogP of 5.32, 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]-5-chloroquinolin-8-amine is sourced from PubChem (CID 115380155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).