6-bromo-4-chloroquinoline;3-(6-bromoquinolin-4-yl)oxy-N,N-dimethylpropan-1-amine;3-(dimethylamino)propan-1-ol

C28H35Br2ClN4O2 — CID 160967648

IUPAC6-bromo-4-chloroquinoline;3-(6-bromoquinolin-4-yl)oxy-N,N-dimethylpropan-1-amine;3-(dimethylamino)propan-1-ol
SMILESCN(C)CCCO.CN(C)CCCOc1ccnc2ccc(Br)cc12.Clc1ccnc2ccc(Br)cc12
InChIInChI=1S/C14H17BrN2O.C9H5BrClN.C5H13NO/c1-17(2)8-3-9-18-14-6-7-16-13-5-4-11(15)10-12(13)14;10-6-1-2-9-7(5-6)8(11)3-4-12-9;1-6(2)4-3-5-7/h4-7,10H,3,8-9H2,1-2H3;1-5H;7H,3-5H2,1-2H3
InChIKeySXVKPTIXPLYHFK-UHFFFAOYSA-N
MW654.88 g/mol
LogP6.91
Rot. Bonds8

About 6-bromo-4-chloroquinoline;3-(6-bromoquinolin-4-yl)oxy-N,N-dimethylpropan-1-amine;3-(dimethylamino)propan-1-ol

6-bromo-4-chloroquinoline;3-(6-bromoquinolin-4-yl)oxy-N,N-dimethylpropan-1-amine;3-(dimethylamino)propan-1-ol (PubChem CID 160967648) has the molecular formula C28H35Br2ClN4O2 and a molecular weight of 654.88 g/mol. Its IUPAC name is 6-bromo-4-chloroquinoline;3-(6-bromoquinolin-4-yl)oxy-N,N-dimethylpropan-1-amine;3-(dimethylamino)propan-1-ol.

Molecular Properties

Compound Name6-bromo-4-chloroquinoline;3-(6-bromoquinolin-4-yl)oxy-N,N-dimethylpropan-1-amine;3-(dimethylamino)propan-1-ol
PubChem CID160967648
Molecular FormulaC28H35Br2ClN4O2
Molecular Weight654.88 g/mol
Exact Mass652.08
IUPAC Name6-bromo-4-chloroquinoline;3-(6-bromoquinolin-4-yl)oxy-N,N-dimethylpropan-1-amine;3-(dimethylamino)propan-1-ol
SMILESCN(C)CCCO.CN(C)CCCOc1ccnc2ccc(Br)cc12.Clc1ccnc2ccc(Br)cc12
InChIInChI=1S/C14H17BrN2O.C9H5BrClN.C5H13NO/c1-17(2)8-3-9-18-14-6-7-16-13-5-4-11(15)10-12(13)14;10-6-1-2-9-7(5-6)8(11)3-4-12-9;1-6(2)4-3-5-7/h4-7,10H,3,8-9H2,1-2H3;1-5H;7H,3-5H2,1-2H3
InChIKeySXVKPTIXPLYHFK-UHFFFAOYSA-N
XLogP6.91
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.88
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Aqpirxskydbndz-uhfffaoysa-
CID 10723507
1,10-Di(4-quinolyloxy)decane
CID 10410333
(1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-(3-methoxyphenyl)-1-(5-methyl-3-pyridinyl)butan-2-ol
CID 145972146
1-[4-[6-bromo-2-(pyridin-4-ylmethoxy)quinolin-3-yl]phenyl]-N,N-dimethylmethanamine
CID 155564631
4-(4-Bromophenoxy)-7-chloroquinoline
CID 4826148
3-Bromo-7-chloro-4-(4-fluorophenoxy)quinoline
CID 17874728
6-Bromo-4-chloro-2-methoxy-3-((6-(trifluoromethyl)pyridin-3-yl)methyl)quinoline
CID 86715658
[2-(6-Bromoquinolin-4-yl)oxy-4-chloro-3-fluorophenyl]methanol
CID 164910239
[2-(6-Bromoquinolin-4-yl)oxy-4-chloro-5-fluorophenyl]methanol
CID 164910412
4-(3-Bromophenoxy)-7-chloroquinoline
CID 2459476
3-Bromo-4-(4-chlorophenoxy)quinoline
CID 135029468
Chloroquinolin
CID 168341254

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloroquinoline;3-(6-bromoquinolin-4-yl)oxy-N,N-dimethylpropan-1-amine;3-(dimethylamino)propan-1-ol?
The IUPAC name of 6-bromo-4-chloroquinoline;3-(6-bromoquinolin-4-yl)oxy-N,N-dimethylpropan-1-amine;3-(dimethylamino)propan-1-ol (CID 160967648) is 6-bromo-4-chloroquinoline;3-(6-bromoquinolin-4-yl)oxy-N,N-dimethylpropan-1-amine;3-(dimethylamino)propan-1-ol.
What is the SMILES notation for 6-bromo-4-chloroquinoline;3-(6-bromoquinolin-4-yl)oxy-N,N-dimethylpropan-1-amine;3-(dimethylamino)propan-1-ol?
The canonical SMILES for 6-bromo-4-chloroquinoline;3-(6-bromoquinolin-4-yl)oxy-N,N-dimethylpropan-1-amine;3-(dimethylamino)propan-1-ol is CN(C)CCCO.CN(C)CCCOc1ccnc2ccc(Br)cc12.Clc1ccnc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-4-chloroquinoline;3-(6-bromoquinolin-4-yl)oxy-N,N-dimethylpropan-1-amine;3-(dimethylamino)propan-1-ol?
The InChIKey is SXVKPTIXPLYHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O.C9H5BrClN.C5H13NO/c1-17(2)8-3-9-18-14-6-7-16-13-5-4-11(15)10-12(13)14;10-6-1-2-9-7(5-6)8(11)3-4-12-9;1-6(2)4-3-5-7/h4-7,10H,3,8-9H2,1-2H3;1-5H;7H,3-5H2,1-2H3.
What are the key properties of 6-bromo-4-chloroquinoline;3-(6-bromoquinolin-4-yl)oxy-N,N-dimethylpropan-1-amine;3-(dimethylamino)propan-1-ol?
6-bromo-4-chloroquinoline;3-(6-bromoquinolin-4-yl)oxy-N,N-dimethylpropan-1-amine;3-(dimethylamino)propan-1-ol has a molecular weight of 654.88 g/mol, XLogP of 6.91, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloroquinoline;3-(6-bromoquinolin-4-yl)oxy-N,N-dimethylpropan-1-amine;3-(dimethylamino)propan-1-ol is sourced from PubChem (CID 160967648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).