N-[(4-bromothiophen-3-yl)methyl]quinolin-8-amine

C14H11BrN2S — CID 112739609

IUPACN-[(4-bromothiophen-3-yl)methyl]quinolin-8-amine
SMILESBrc1cscc1CNc1cccc2cccnc12
InChIInChI=1S/C14H11BrN2S/c15-12-9-18-8-11(12)7-17-13-5-1-3-10-4-2-6-16-14(10)13/h1-6,8-9,17H,7H2
InChIKeyNMYUPNDCAKLVGO-UHFFFAOYSA-N
MW319.23 g/mol
LogP4.67
Rot. Bonds3

About N-[(4-bromothiophen-3-yl)methyl]quinolin-8-amine

N-[(4-bromothiophen-3-yl)methyl]quinolin-8-amine (PubChem CID 112739609) 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-8-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-3-yl)methyl]quinolin-8-amine
PubChem CID112739609
Molecular FormulaC14H11BrN2S
Molecular Weight319.23 g/mol
Exact Mass317.98
IUPAC NameN-[(4-bromothiophen-3-yl)methyl]quinolin-8-amine
SMILESBrc1cscc1CNc1cccc2cccnc12
InChIInChI=1S/C14H11BrN2S/c15-12-9-18-8-11(12)7-17-13-5-1-3-10-4-2-6-16-14(10)13/h1-6,8-9,17H,7H2
InChIKeyNMYUPNDCAKLVGO-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

2-bromo-N-(quinolin-8-ylmethyl)aniline
CID 28616025
N-(pyridin-2-ylmethyl)quinolin-8-amine
CID 20827882
N-[(5-chloro-1,3-thiazol-2-yl)methyl]quinolin-8-amine
CID 104878700
3-bromo-N-(quinolin-8-ylmethyl)pyridin-4-amine
CID 104777182
2-chloro-6-[(quinolin-8-ylamino)methyl]phenol
CID 115904886
N-[(5-methyl-1H-pyrazol-4-yl)methyl]quinolin-8-amine
CID 43663459
5-methoxy-2-[(quinolin-8-ylamino)methyl]phenol
CID 61268574
N-(1H-pyrrol-3-ylmethyl)quinolin-8-amine
CID 66408480
N-[(2-methylpyrimidin-4-yl)methyl]quinolin-8-amine
CID 62749451
N-[(4-bromothiophen-3-yl)methyl]quinolin-3-amine
CID 112739629
N-[(2-bromophenyl)methyl]-6-chloroquinolin-8-amine
CID 43672427
4-bromo-5-fluoro-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine
CID 81427965

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-3-yl)methyl]quinolin-8-amine?
The IUPAC name of N-[(4-bromothiophen-3-yl)methyl]quinolin-8-amine (CID 112739609) is N-[(4-bromothiophen-3-yl)methyl]quinolin-8-amine.
What is the SMILES notation for N-[(4-bromothiophen-3-yl)methyl]quinolin-8-amine?
The canonical SMILES for N-[(4-bromothiophen-3-yl)methyl]quinolin-8-amine is Brc1cscc1CNc1cccc2cccnc12.
What is the InChIKey of N-[(4-bromothiophen-3-yl)methyl]quinolin-8-amine?
The InChIKey is NMYUPNDCAKLVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2S/c15-12-9-18-8-11(12)7-17-13-5-1-3-10-4-2-6-16-14(10)13/h1-6,8-9,17H,7H2.
What are the key properties of N-[(4-bromothiophen-3-yl)methyl]quinolin-8-amine?
N-[(4-bromothiophen-3-yl)methyl]quinolin-8-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-8-amine is sourced from PubChem (CID 112739609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).