N-[1-(5-bromofuran-2-yl)ethyl]-6-chloro-8-methylquinolin-5-amine

C16H14BrClN2O — CID 104652307

IUPACN-[1-(5-bromofuran-2-yl)ethyl]-6-chloro-8-methylquinolin-5-amine
SMILESCc1cc(Cl)c(NC(C)c2ccc(Br)o2)c2cccnc12
InChIInChI=1S/C16H14BrClN2O/c1-9-8-12(18)16(11-4-3-7-19-15(9)11)20-10(2)13-5-6-14(17)21-13/h3-8,10,20H,1-2H3
InChIKeyWRTQPNITCJDEOS-UHFFFAOYSA-N
MW365.66 g/mol
LogP5.73
Rot. Bonds3

About N-[1-(5-bromofuran-2-yl)ethyl]-6-chloro-8-methylquinolin-5-amine

N-[1-(5-bromofuran-2-yl)ethyl]-6-chloro-8-methylquinolin-5-amine (PubChem CID 104652307) has the molecular formula C16H14BrClN2O and a molecular weight of 365.66 g/mol. Its IUPAC name is N-[1-(5-bromofuran-2-yl)ethyl]-6-chloro-8-methylquinolin-5-amine.

Molecular Properties

Compound NameN-[1-(5-bromofuran-2-yl)ethyl]-6-chloro-8-methylquinolin-5-amine
PubChem CID104652307
Molecular FormulaC16H14BrClN2O
Molecular Weight365.66 g/mol
Exact Mass364.00
IUPAC NameN-[1-(5-bromofuran-2-yl)ethyl]-6-chloro-8-methylquinolin-5-amine
SMILESCc1cc(Cl)c(NC(C)c2ccc(Br)o2)c2cccnc12
InChIInChI=1S/C16H14BrClN2O/c1-9-8-12(18)16(11-4-3-7-19-15(9)11)20-10(2)13-5-6-14(17)21-13/h3-8,10,20H,1-2H3
InChIKeyWRTQPNITCJDEOS-UHFFFAOYSA-N
XLogP5.73
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.66
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-8-methylquinolin-5-amine
CID 43674643
6-chloro-8-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]quinolin-5-amine
CID 43779310
6-chloro-8-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]quinolin-5-amine
CID 43674677
N-[1-(5-bromofuran-2-yl)ethyl]-6-chloroquinolin-8-amine
CID 104652287
6-chloro-N-hexan-2-yl-8-methylquinolin-5-amine
CID 43779304
6-chloro-N-(3,3-dimethylbutyl)-8-methylquinolin-5-amine
CID 63427847
6-chloro-8-methyl-N-(2-methylpentyl)quinolin-5-amine
CID 43674590
N-[1-(5-bromofuran-2-yl)ethyl]-3-chloro-2-methylaniline
CID 113437440
6-chloro-N-cyclohexyl-8-methylquinolin-5-amine
CID 43674648
2-bromo-N-(6-chloro-8-methylquinolin-5-yl)butanamide
CID 55126113
N-(6-chloro-8-methylquinolin-5-yl)-2,2,3,3-tetrafluoropropanamide
CID 103737695
6-chloro-8-methyl-N-[(2-methylphenyl)methyl]quinolin-5-amine
CID 43674610

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-6-chloro-8-methylquinolin-5-amine?
The IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-6-chloro-8-methylquinolin-5-amine (CID 104652307) is N-[1-(5-bromofuran-2-yl)ethyl]-6-chloro-8-methylquinolin-5-amine.
What is the SMILES notation for N-[1-(5-bromofuran-2-yl)ethyl]-6-chloro-8-methylquinolin-5-amine?
The canonical SMILES for N-[1-(5-bromofuran-2-yl)ethyl]-6-chloro-8-methylquinolin-5-amine is Cc1cc(Cl)c(NC(C)c2ccc(Br)o2)c2cccnc12.
What is the InChIKey of N-[1-(5-bromofuran-2-yl)ethyl]-6-chloro-8-methylquinolin-5-amine?
The InChIKey is WRTQPNITCJDEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O/c1-9-8-12(18)16(11-4-3-7-19-15(9)11)20-10(2)13-5-6-14(17)21-13/h3-8,10,20H,1-2H3.
What are the key properties of N-[1-(5-bromofuran-2-yl)ethyl]-6-chloro-8-methylquinolin-5-amine?
N-[1-(5-bromofuran-2-yl)ethyl]-6-chloro-8-methylquinolin-5-amine has a molecular weight of 365.66 g/mol, XLogP of 5.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromofuran-2-yl)ethyl]-6-chloro-8-methylquinolin-5-amine is sourced from PubChem (CID 104652307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).