N-[(5-bromofuran-2-yl)methyl]-6-chloroquinolin-8-amine

C14H10BrClN2O — CID 43672409

IUPACN-[(5-bromofuran-2-yl)methyl]-6-chloroquinolin-8-amine
SMILESClc1cc(NCc2ccc(Br)o2)c2ncccc2c1
InChIInChI=1S/C14H10BrClN2O/c15-13-4-3-11(19-13)8-18-12-7-10(16)6-9-2-1-5-17-14(9)12/h1-7,18H,8H2
InChIKeyLFKQXWQXPIIPPU-UHFFFAOYSA-N
MW337.60 g/mol
LogP4.86
Rot. Bonds3

About N-[(5-bromofuran-2-yl)methyl]-6-chloroquinolin-8-amine

N-[(5-bromofuran-2-yl)methyl]-6-chloroquinolin-8-amine (PubChem CID 43672409) has the molecular formula C14H10BrClN2O and a molecular weight of 337.60 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]-6-chloroquinolin-8-amine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-6-chloroquinolin-8-amine
PubChem CID43672409
Molecular FormulaC14H10BrClN2O
Molecular Weight337.60 g/mol
Exact Mass335.97
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-6-chloroquinolin-8-amine
SMILESClc1cc(NCc2ccc(Br)o2)c2ncccc2c1
InChIInChI=1S/C14H10BrClN2O/c15-13-4-3-11(19-13)8-18-12-7-10(16)6-9-2-1-5-17-14(9)12/h1-7,18H,8H2
InChIKeyLFKQXWQXPIIPPU-UHFFFAOYSA-N
XLogP4.86
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.60
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromophenyl)methyl]-6-chloroquinolin-8-amine
CID 43672427
N-[(3-bromo-4-fluorophenyl)methyl]-6-chloroquinolin-8-amine
CID 43672441
N-[1-(5-bromofuran-2-yl)ethyl]-6-chloroquinolin-8-amine
CID 104652287
6-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine
CID 43672377
6-chloro-N-(thiophen-3-ylmethyl)quinolin-8-amine
CID 43672406
(6-chloroquinolin-8-yl)hydrazine
CID 138505780
6-chloro-N-pentylquinolin-8-amine
CID 43672340
6-chloro-N-hexylquinolin-8-amine
CID 43672362
N-[(5-bromofuran-2-yl)methyl]-4-chloro-2-fluoroaniline
CID 43716493
2-[(5-bromofuran-2-yl)methylamino]-4-chloro-N,N-dimethylbenzamide
CID 43737640
N-[(5-bromofuran-2-yl)methyl]-2-chloro-4-iodoaniline
CID 43733657
N-[(5-bromofuran-2-yl)methyl]-4-chloro-2-(trifluoromethyl)aniline
CID 28534147

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]-6-chloroquinolin-8-amine?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-6-chloroquinolin-8-amine (CID 43672409) is N-[(5-bromofuran-2-yl)methyl]-6-chloroquinolin-8-amine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-6-chloroquinolin-8-amine?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-6-chloroquinolin-8-amine is Clc1cc(NCc2ccc(Br)o2)c2ncccc2c1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-6-chloroquinolin-8-amine?
The InChIKey is LFKQXWQXPIIPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O/c15-13-4-3-11(19-13)8-18-12-7-10(16)6-9-2-1-5-17-14(9)12/h1-7,18H,8H2.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-6-chloroquinolin-8-amine?
N-[(5-bromofuran-2-yl)methyl]-6-chloroquinolin-8-amine has a molecular weight of 337.60 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methyl]-6-chloroquinolin-8-amine is sourced from PubChem (CID 43672409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).