1-N-(6-bromoquinolin-4-yl)-4-N,4-N-diethylcyclohexane-1,4-diamine

C19H26BrN3 — CID 173470241

IUPAC1-N-(6-bromoquinolin-4-yl)-4-N,4-N-diethylcyclohexane-1,4-diamine
SMILESCCN(CC)C1CCC(Nc2ccnc3ccc(Br)cc23)CC1
InChIInChI=1S/C19H26BrN3/c1-3-23(4-2)16-8-6-15(7-9-16)22-19-11-12-21-18-10-5-14(20)13-17(18)19/h5,10-13,15-16H,3-4,6-9H2,1-2H3,(H,21,22)
InChIKeyOUKZCVDTHNRYST-UHFFFAOYSA-N
MW376.34 g/mol
LogP5.06
Rot. Bonds5

About 1-N-(6-bromoquinolin-4-yl)-4-N,4-N-diethylcyclohexane-1,4-diamine

1-N-(6-bromoquinolin-4-yl)-4-N,4-N-diethylcyclohexane-1,4-diamine (PubChem CID 173470241) has the molecular formula C19H26BrN3 and a molecular weight of 376.34 g/mol. Its IUPAC name is 1-N-(6-bromoquinolin-4-yl)-4-N,4-N-diethylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N-(6-bromoquinolin-4-yl)-4-N,4-N-diethylcyclohexane-1,4-diamine
PubChem CID173470241
Molecular FormulaC19H26BrN3
Molecular Weight376.34 g/mol
Exact Mass375.13
IUPAC Name1-N-(6-bromoquinolin-4-yl)-4-N,4-N-diethylcyclohexane-1,4-diamine
SMILESCCN(CC)C1CCC(Nc2ccnc3ccc(Br)cc23)CC1
InChIInChI=1S/C19H26BrN3/c1-3-23(4-2)16-8-6-15(7-9-16)22-19-11-12-21-18-10-5-14(20)13-17(18)19/h5,10-13,15-16H,3-4,6-9H2,1-2H3,(H,21,22)
InChIKeyOUKZCVDTHNRYST-UHFFFAOYSA-N
XLogP5.06
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.34
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-(6-bromoquinolin-4-yl)-4-N,4-N-diethylcyclohexane-1,4-diamine with MolForge

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Related Compounds

6-bromo-N-(2-cyclopropyloxan-4-yl)quinolin-4-amine
CID 133473645
6-bromo-N-propan-2-ylquinolin-4-amine
CID 150956944
4-(cyclohexylamino)quinolin-6-ol;hydrate;hydrobromide
CID 22417951
N-[(6-bromoquinolin-4-yl)methyl]cyclobutanamine
CID 178046560
4-[(4-iodocyclohexyl)amino]quinoline-6-carbonitrile
CID 118475363
6-fluoro-N-piperidin-4-ylquinolin-4-amine
CID 68720863
N-(4-methylcyclohexyl)-6H-pyrrolo[3,4-b]pyridin-4-amine
CID 151286436
(2S)-2-[(6-bromoquinolin-4-yl)amino]-3-methylbutan-1-ol
CID 133337923
6-bromo-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]quinolin-4-amine
CID 133415596
4-bromo-N-cyclopentyl-2-ethylaniline
CID 81292169
[4-[(6,7-dimethoxyquinolin-4-yl)amino]cyclohexyl]methanesulfonamide
CID 158306742
N-[2-[(6-bromoquinolin-4-yl)amino]ethyl]-2,2-dimethylpropanamide
CID 133326780

Frequently Asked Questions

What is the IUPAC name of 1-N-(6-bromoquinolin-4-yl)-4-N,4-N-diethylcyclohexane-1,4-diamine?
The IUPAC name of 1-N-(6-bromoquinolin-4-yl)-4-N,4-N-diethylcyclohexane-1,4-diamine (CID 173470241) is 1-N-(6-bromoquinolin-4-yl)-4-N,4-N-diethylcyclohexane-1,4-diamine.
What is the SMILES notation for 1-N-(6-bromoquinolin-4-yl)-4-N,4-N-diethylcyclohexane-1,4-diamine?
The canonical SMILES for 1-N-(6-bromoquinolin-4-yl)-4-N,4-N-diethylcyclohexane-1,4-diamine is CCN(CC)C1CCC(Nc2ccnc3ccc(Br)cc23)CC1.
What is the InChIKey of 1-N-(6-bromoquinolin-4-yl)-4-N,4-N-diethylcyclohexane-1,4-diamine?
The InChIKey is OUKZCVDTHNRYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26BrN3/c1-3-23(4-2)16-8-6-15(7-9-16)22-19-11-12-21-18-10-5-14(20)13-17(18)19/h5,10-13,15-16H,3-4,6-9H2,1-2H3,(H,21,22).
What are the key properties of 1-N-(6-bromoquinolin-4-yl)-4-N,4-N-diethylcyclohexane-1,4-diamine?
1-N-(6-bromoquinolin-4-yl)-4-N,4-N-diethylcyclohexane-1,4-diamine has a molecular weight of 376.34 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-bromoquinolin-4-yl)-4-N,4-N-diethylcyclohexane-1,4-diamine is sourced from PubChem (CID 173470241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).