N-(2-bromoethyl)-7-chloro-N-cyclohexylquinolin-4-amine

C17H20BrClN2 — CID 80666227

IUPACN-(2-bromoethyl)-7-chloro-N-cyclohexylquinolin-4-amine
SMILESClc1ccc2c(N(CCBr)C3CCCCC3)ccnc2c1
InChIInChI=1S/C17H20BrClN2/c18-9-11-21(14-4-2-1-3-5-14)17-8-10-20-16-12-13(19)6-7-15(16)17/h6-8,10,12,14H,1-5,9,11H2
InChIKeyPWHWQKZFAVYVRF-UHFFFAOYSA-N
MW367.72 g/mol
LogP5.42
Rot. Bonds4

About N-(2-bromoethyl)-7-chloro-N-cyclohexylquinolin-4-amine

N-(2-bromoethyl)-7-chloro-N-cyclohexylquinolin-4-amine (PubChem CID 80666227) has the molecular formula C17H20BrClN2 and a molecular weight of 367.72 g/mol. Its IUPAC name is N-(2-bromoethyl)-7-chloro-N-cyclohexylquinolin-4-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-7-chloro-N-cyclohexylquinolin-4-amine
PubChem CID80666227
Molecular FormulaC17H20BrClN2
Molecular Weight367.72 g/mol
Exact Mass366.05
IUPAC NameN-(2-bromoethyl)-7-chloro-N-cyclohexylquinolin-4-amine
SMILESClc1ccc2c(N(CCBr)C3CCCCC3)ccnc2c1
InChIInChI=1S/C17H20BrClN2/c18-9-11-21(14-4-2-1-3-5-14)17-8-10-20-16-12-13(19)6-7-15(16)17/h6-8,10,12,14H,1-5,9,11H2
InChIKeyPWHWQKZFAVYVRF-UHFFFAOYSA-N
XLogP5.42
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.72
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N'-(7-chloroquinolin-4-yl)-N'-cyclopentylethane-1,2-diamine
CID 62586557
N'-(7-chloroquinolin-4-yl)-N'-cyclobutylethane-1,2-diamine
CID 102874825
3-[(7-chloroquinolin-4-yl)-cyclopropylamino]propanenitrile
CID 54997318
4-N-(7-chloroquinolin-4-yl)-1-N,4-N-diethylcyclohexane-1,4-diamine
CID 66921322
7-chloro-4-(cyclohexylmethyl)quinoline
CID 122374976
7-chloro-N-methyl-N-(piperidin-2-ylmethyl)quinolin-4-amine
CID 106642173
N-(3-bromopropyl)-7-chloro-N-propan-2-ylquinolin-4-amine
CID 80674237
7-chloro-N-ethyl-N-methylquinolin-4-amine
CID 123939218
N-(2-bromoethyl)-N-cyclohexylcinnolin-4-amine
CID 80676406
7-chloro-N-methyl-N-(piperidin-4-ylmethyl)quinolin-4-amine
CID 79719664
N-(2-bromoethyl)-N-cyclopentylpyridin-2-amine
CID 80669086
7-chloro-N-methyl-N-(piperidin-3-ylmethyl)quinolin-4-amine
CID 106642854

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-7-chloro-N-cyclohexylquinolin-4-amine?
The IUPAC name of N-(2-bromoethyl)-7-chloro-N-cyclohexylquinolin-4-amine (CID 80666227) is N-(2-bromoethyl)-7-chloro-N-cyclohexylquinolin-4-amine.
What is the SMILES notation for N-(2-bromoethyl)-7-chloro-N-cyclohexylquinolin-4-amine?
The canonical SMILES for N-(2-bromoethyl)-7-chloro-N-cyclohexylquinolin-4-amine is Clc1ccc2c(N(CCBr)C3CCCCC3)ccnc2c1.
What is the InChIKey of N-(2-bromoethyl)-7-chloro-N-cyclohexylquinolin-4-amine?
The InChIKey is PWHWQKZFAVYVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrClN2/c18-9-11-21(14-4-2-1-3-5-14)17-8-10-20-16-12-13(19)6-7-15(16)17/h6-8,10,12,14H,1-5,9,11H2.
What are the key properties of N-(2-bromoethyl)-7-chloro-N-cyclohexylquinolin-4-amine?
N-(2-bromoethyl)-7-chloro-N-cyclohexylquinolin-4-amine has a molecular weight of 367.72 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-7-chloro-N-cyclohexylquinolin-4-amine is sourced from PubChem (CID 80666227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).