6-bromo-4-chloroquinoline;4-chloro-6-ethenylquinoline;4-chloro-6-methoxyquinoline;6-methoxy-4-pyridin-4-ylquinoline

C45H33BrCl3N5O2 — CID 160522057

IUPAC6-bromo-4-chloroquinoline;4-chloro-6-ethenylquinoline;4-chloro-6-methoxyquinoline;6-methoxy-4-pyridin-4-ylquinoline
SMILESC=Cc1ccc2nccc(Cl)c2c1.COc1ccc2nccc(-c3ccncc3)c2c1.COc1ccc2nccc(Cl)c2c1.Clc1ccnc2ccc(Br)cc12
InChIInChI=1S/C15H12N2O.C11H8ClN.C10H8ClNO.C9H5BrClN/c1-18-12-2-3-15-14(10-12)13(6-9-17-15)11-4-7-16-8-5-11;1-2-8-3-4-11-9(7-8)10(12)5-6-13-11;1-13-7-2-3-10-8(6-7)9(11)4-5-12-10;10-6-1-2-9-7(5-6)8(11)3-4-12-9/h2-10H,1H3;2-7H,1H2;2-6H,1H3;1-5H
InChIKeyQUKCWTUTDJTETB-UHFFFAOYSA-N
MW862.05 g/mol
LogP13.38
Rot. Bonds4

About 6-bromo-4-chloroquinoline;4-chloro-6-ethenylquinoline;4-chloro-6-methoxyquinoline;6-methoxy-4-pyridin-4-ylquinoline

6-bromo-4-chloroquinoline;4-chloro-6-ethenylquinoline;4-chloro-6-methoxyquinoline;6-methoxy-4-pyridin-4-ylquinoline (PubChem CID 160522057) has the molecular formula C45H33BrCl3N5O2 and a molecular weight of 862.05 g/mol. Its IUPAC name is 6-bromo-4-chloroquinoline;4-chloro-6-ethenylquinoline;4-chloro-6-methoxyquinoline;6-methoxy-4-pyridin-4-ylquinoline.

Molecular Properties

Compound Name6-bromo-4-chloroquinoline;4-chloro-6-ethenylquinoline;4-chloro-6-methoxyquinoline;6-methoxy-4-pyridin-4-ylquinoline
PubChem CID160522057
Molecular FormulaC45H33BrCl3N5O2
Molecular Weight862.05 g/mol
Exact Mass859.09
IUPAC Name6-bromo-4-chloroquinoline;4-chloro-6-ethenylquinoline;4-chloro-6-methoxyquinoline;6-methoxy-4-pyridin-4-ylquinoline
SMILESC=Cc1ccc2nccc(Cl)c2c1.COc1ccc2nccc(-c3ccncc3)c2c1.COc1ccc2nccc(Cl)c2c1.Clc1ccnc2ccc(Br)cc12
InChIInChI=1S/C15H12N2O.C11H8ClN.C10H8ClNO.C9H5BrClN/c1-18-12-2-3-15-14(10-12)13(6-9-17-15)11-4-7-16-8-5-11;1-2-8-3-4-11-9(7-8)10(12)5-6-13-11;1-13-7-2-3-10-8(6-7)9(11)4-5-12-10;10-6-1-2-9-7(5-6)8(11)3-4-12-9/h2-10H,1H3;2-7H,1H2;2-6H,1H3;1-5H
InChIKeyQUKCWTUTDJTETB-UHFFFAOYSA-N
XLogP13.38
TPSA82.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500862.05
LogP ≤ 513.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-bromo-4-chloroquinoline;4-chloro-6-ethenylquinoline;4-chloro-6-methoxyquinoline;6-methoxy-4-pyridin-4-ylquinoline with MolForge

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Related Compounds

N,N-bis[(2-chloro-6-methoxyquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine
CID 162675017
8-[3-[3-Bromo-4-[3,4-dichloro-5-(3-methylisoquinolin-1-yl)isoquinolin-1-yl]isoquinolin-1-yl]isoquinolin-1-yl]-3-fluoro-6-methoxy-7-methyl-4-quinolin-2-yl-5-(quinolin-2-ylmethyl)quinoline
CID 123493868
8-[3-[3-bromo-4-(3,4-dichloro-5-isoquinolin-1-ylisoquinolin-1-yl)isoquinolin-1-yl]isoquinolin-1-yl]-3-fluoro-6-methoxy-1,7-dimethyl-4-quinolin-2-yl-5-(quinolin-2-ylmethyl)-4H-quinoline
CID 123843464
8-Bromo-4-methyl-6-propan-2-ylquinoline;8-chloro-4,5-dimethyl-6-propan-2-ylquinoline;8-chloro-5-methyl-4,6-di(propan-2-yl)quinoline;4-chloro-8-methyl-6-propan-2-ylquinoline;8-chloro-4-methyl-6-propan-2-ylquinoline;8-chloro-5-methyl-6-propan-2-ylquinoline;8-chloro-5-methyl-6-propan-2-yl-4-(trifluoromethyl)quinoline;8-chloro-2,4,5-trimethyl-6-propan-2-ylquinoline;4,8-dimethyl-6-propan-2-ylquinoline;8-methoxy-4-methyl-6-propan-2-ylquinoline;4-methoxy-6-propan-2-ylquinoline;4-methyl-6-propan-2-ylquinoline;5-methyl-6-propan-2-ylquinoline;8-methyl-6-propan-2-ylquinoline
CID 157425637
4-[(1R,2R)-1,2-bis[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-2-(6-methoxyquinolin-4-yl)ethyl]-6-methoxyquinoline
CID 25099023
4-Bromo-3-chloro-6-methoxyquinoline;7-chloro-8-ethenyl-2-methoxyquinoline
CID 68806246
[4-[3-(3-Chloro-6-methoxyquinolin-4-yl)propyl]-1-[4-(4-fluorophenyl)butyl]piperidin-4-yl]methanol;[4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-1-[3-(4-fluorophenyl)propyl]piperidin-4-yl]methanol
CID 88089715
1-[(2-Bromo-5-methoxyphenyl)methyl]-4-[[1-[(2-bromo-5-methoxyphenyl)methyl]-5-ethenylidene-1-azoniabicyclo[2.2.2]octan-2-yl]methyl]-6-methoxyquinolin-1-ium
CID 123325546
6-Bromo-4-chloroquinoline;6-bromo-4-phenylmethoxyquinoline;6-methyl-4-phenylmethoxyquinoline;4-phenylmethoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
CID 123474674
3-(4-Bromophenyl)-4-chloro-6-methoxyquinoline
CID 141133851
6-bromo-4-[[(3R)-1-propan-2-ylpiperidin-3-yl]methoxy]quinoline;6-methyl-4-[[(3R)-1-methylpiperidin-3-yl]methoxy]quinoline
CID 144266316
1-[(2-Bromo-5-methoxyphenyl)methyl]-4-[[1-[(2-bromo-5-methoxyphenyl)methyl]-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]methyl]-6-methoxyquinolin-1-ium
CID 154937417

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloroquinoline;4-chloro-6-ethenylquinoline;4-chloro-6-methoxyquinoline;6-methoxy-4-pyridin-4-ylquinoline?
The IUPAC name of 6-bromo-4-chloroquinoline;4-chloro-6-ethenylquinoline;4-chloro-6-methoxyquinoline;6-methoxy-4-pyridin-4-ylquinoline (CID 160522057) is 6-bromo-4-chloroquinoline;4-chloro-6-ethenylquinoline;4-chloro-6-methoxyquinoline;6-methoxy-4-pyridin-4-ylquinoline.
What is the SMILES notation for 6-bromo-4-chloroquinoline;4-chloro-6-ethenylquinoline;4-chloro-6-methoxyquinoline;6-methoxy-4-pyridin-4-ylquinoline?
The canonical SMILES for 6-bromo-4-chloroquinoline;4-chloro-6-ethenylquinoline;4-chloro-6-methoxyquinoline;6-methoxy-4-pyridin-4-ylquinoline is C=Cc1ccc2nccc(Cl)c2c1.COc1ccc2nccc(-c3ccncc3)c2c1.COc1ccc2nccc(Cl)c2c1.Clc1ccnc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-4-chloroquinoline;4-chloro-6-ethenylquinoline;4-chloro-6-methoxyquinoline;6-methoxy-4-pyridin-4-ylquinoline?
The InChIKey is QUKCWTUTDJTETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O.C11H8ClN.C10H8ClNO.C9H5BrClN/c1-18-12-2-3-15-14(10-12)13(6-9-17-15)11-4-7-16-8-5-11;1-2-8-3-4-11-9(7-8)10(12)5-6-13-11;1-13-7-2-3-10-8(6-7)9(11)4-5-12-10;10-6-1-2-9-7(5-6)8(11)3-4-12-9/h2-10H,1H3;2-7H,1H2;2-6H,1H3;1-5H.
What are the key properties of 6-bromo-4-chloroquinoline;4-chloro-6-ethenylquinoline;4-chloro-6-methoxyquinoline;6-methoxy-4-pyridin-4-ylquinoline?
6-bromo-4-chloroquinoline;4-chloro-6-ethenylquinoline;4-chloro-6-methoxyquinoline;6-methoxy-4-pyridin-4-ylquinoline has a molecular weight of 862.05 g/mol, XLogP of 13.38, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloroquinoline;4-chloro-6-ethenylquinoline;4-chloro-6-methoxyquinoline;6-methoxy-4-pyridin-4-ylquinoline is sourced from PubChem (CID 160522057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).