3-chloro-6-[(4-chloro-3-iodopyrrolo[3,2-c]pyridin-1-yl)methyl]quinoline;3-chloro-6-(chloromethyl)quinoline;4-chloro-3-iodo-1H-pyrrolo[3,2-c]pyridine

C34H21Cl5I2N6 — CID 158808678

IUPAC3-chloro-6-[(4-chloro-3-iodopyrrolo[3,2-c]pyridin-1-yl)methyl]quinoline;3-chloro-6-(chloromethyl)quinoline;4-chloro-3-iodo-1H-pyrrolo[3,2-c]pyridine
SMILESClCc1ccc2ncc(Cl)cc2c1.Clc1cnc2ccc(Cn3cc(I)c4c(Cl)nccc43)cc2c1.Clc1nccc2[nH]cc(I)c12
InChIInChI=1S/C17H10Cl2IN3.C10H7Cl2N.C7H4ClIN2/c18-12-6-11-5-10(1-2-14(11)22-7-12)8-23-9-13(20)16-15(23)3-4-21-17(16)19;11-5-7-1-2-10-8(3-7)4-9(12)6-13-10;8-7-6-4(9)3-11-5(6)1-2-10-7/h1-7,9H,8H2;1-4,6H,5H2;1-3,11H
InChIKeyIUKBXRVETGUJNI-UHFFFAOYSA-N
MW944.66 g/mol
LogP11.99
Rot. Bonds3

About 3-chloro-6-[(4-chloro-3-iodopyrrolo[3,2-c]pyridin-1-yl)methyl]quinoline;3-chloro-6-(chloromethyl)quinoline;4-chloro-3-iodo-1H-pyrrolo[3,2-c]pyridine

3-chloro-6-[(4-chloro-3-iodopyrrolo[3,2-c]pyridin-1-yl)methyl]quinoline;3-chloro-6-(chloromethyl)quinoline;4-chloro-3-iodo-1H-pyrrolo[3,2-c]pyridine (PubChem CID 158808678) has the molecular formula C34H21Cl5I2N6 and a molecular weight of 944.66 g/mol. Its IUPAC name is 3-chloro-6-[(4-chloro-3-iodopyrrolo[3,2-c]pyridin-1-yl)methyl]quinoline;3-chloro-6-(chloromethyl)quinoline;4-chloro-3-iodo-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name3-chloro-6-[(4-chloro-3-iodopyrrolo[3,2-c]pyridin-1-yl)methyl]quinoline;3-chloro-6-(chloromethyl)quinoline;4-chloro-3-iodo-1H-pyrrolo[3,2-c]pyridine
PubChem CID158808678
Molecular FormulaC34H21Cl5I2N6
Molecular Weight944.66 g/mol
Exact Mass941.84
IUPAC Name3-chloro-6-[(4-chloro-3-iodopyrrolo[3,2-c]pyridin-1-yl)methyl]quinoline;3-chloro-6-(chloromethyl)quinoline;4-chloro-3-iodo-1H-pyrrolo[3,2-c]pyridine
SMILESClCc1ccc2ncc(Cl)cc2c1.Clc1cnc2ccc(Cn3cc(I)c4c(Cl)nccc43)cc2c1.Clc1nccc2[nH]cc(I)c12
InChIInChI=1S/C17H10Cl2IN3.C10H7Cl2N.C7H4ClIN2/c18-12-6-11-5-10(1-2-14(11)22-7-12)8-23-9-13(20)16-15(23)3-4-21-17(16)19;11-5-7-1-2-10-8(3-7)4-9(12)6-13-10;8-7-6-4(9)3-11-5(6)1-2-10-7/h1-7,9H,8H2;1-4,6H,5H2;1-3,11H
InChIKeyIUKBXRVETGUJNI-UHFFFAOYSA-N
XLogP11.99
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500944.66
LogP ≤ 511.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-chloro-6-[(4-chloro-3-iodopyrrolo[3,2-c]pyridin-1-yl)methyl]quinoline;3-chloro-6-(chloromethyl)quinoline;4-chloro-3-iodo-1H-pyrrolo[3,2-c]pyridine with MolForge

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Related Compounds

6-chloro-4-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]piperidin-1-yl]quinoline
CID 44527008
1-[(3-Chlorophenyl)methyl]-4-(piperazin-1-ylmethyl)pyrrolo[3,2-c]quinoline;hydrochloride
CID 172452919
1-[(3-Chlorophenyl)methyl]-4-piperidin-4-ylpyrrolo[3,2-c]quinoline;hydrochloride
CID 172455250
N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-1-[2-[(6-pyridin-4-yl-2-pyridinyl)methyl]-4-pyridinyl]ethenamine
CID 118220660
1-[2-[(3-chloroquinolin-6-yl)methyl]-4-pyridinyl]-N-[(6-fluoro-1H-indol-5-yl)methyl]methanamine
CID 126539844
4-[3-(8-chloroquinolin-2-yl)-5,6,7-trifluoroindol-1-yl]-7-fluoro-2-(7-methyl-1H-indol-3-yl)quinoline
CID 126544188
[6-[[4-[[(3-chloro-6-fluoro-1H-indol-5-yl)methylamino]methyl]-2-pyridinyl]methyl]quinolin-2-yl]methanamine
CID 126745832
N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-6-[(3-chloroquinolin-6-yl)methyl]-3H-pyrrolo[3,4-c]pyridin-1-amine
CID 149285879
N'-(7-chloroquinolin-4-yl)-N-(1H-indol-5-ylmethyl)propane-1,3-diamine
CID 162444657
N-(7-chloroquinolin-4-yl)-N'-(1H-indol-5-ylmethyl)-N'-propylpropane-1,3-diamine
CID 172057049
N'-benzyl-N-(7-chloroquinolin-4-yl)-N'-(1H-indol-5-ylmethyl)propane-1,3-diamine
CID 172057260
N'-benzyl-N-(7-chloroquinolin-4-yl)-N'-(1H-indol-5-ylmethyl)butane-1,4-diamine
CID 172057333

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(4-chloro-3-iodopyrrolo[3,2-c]pyridin-1-yl)methyl]quinoline;3-chloro-6-(chloromethyl)quinoline;4-chloro-3-iodo-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 3-chloro-6-[(4-chloro-3-iodopyrrolo[3,2-c]pyridin-1-yl)methyl]quinoline;3-chloro-6-(chloromethyl)quinoline;4-chloro-3-iodo-1H-pyrrolo[3,2-c]pyridine (CID 158808678) is 3-chloro-6-[(4-chloro-3-iodopyrrolo[3,2-c]pyridin-1-yl)methyl]quinoline;3-chloro-6-(chloromethyl)quinoline;4-chloro-3-iodo-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 3-chloro-6-[(4-chloro-3-iodopyrrolo[3,2-c]pyridin-1-yl)methyl]quinoline;3-chloro-6-(chloromethyl)quinoline;4-chloro-3-iodo-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 3-chloro-6-[(4-chloro-3-iodopyrrolo[3,2-c]pyridin-1-yl)methyl]quinoline;3-chloro-6-(chloromethyl)quinoline;4-chloro-3-iodo-1H-pyrrolo[3,2-c]pyridine is ClCc1ccc2ncc(Cl)cc2c1.Clc1cnc2ccc(Cn3cc(I)c4c(Cl)nccc43)cc2c1.Clc1nccc2[nH]cc(I)c12.
What is the InChIKey of 3-chloro-6-[(4-chloro-3-iodopyrrolo[3,2-c]pyridin-1-yl)methyl]quinoline;3-chloro-6-(chloromethyl)quinoline;4-chloro-3-iodo-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is IUKBXRVETGUJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2IN3.C10H7Cl2N.C7H4ClIN2/c18-12-6-11-5-10(1-2-14(11)22-7-12)8-23-9-13(20)16-15(23)3-4-21-17(16)19;11-5-7-1-2-10-8(3-7)4-9(12)6-13-10;8-7-6-4(9)3-11-5(6)1-2-10-7/h1-7,9H,8H2;1-4,6H,5H2;1-3,11H.
What are the key properties of 3-chloro-6-[(4-chloro-3-iodopyrrolo[3,2-c]pyridin-1-yl)methyl]quinoline;3-chloro-6-(chloromethyl)quinoline;4-chloro-3-iodo-1H-pyrrolo[3,2-c]pyridine?
3-chloro-6-[(4-chloro-3-iodopyrrolo[3,2-c]pyridin-1-yl)methyl]quinoline;3-chloro-6-(chloromethyl)quinoline;4-chloro-3-iodo-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 944.66 g/mol, XLogP of 11.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(4-chloro-3-iodopyrrolo[3,2-c]pyridin-1-yl)methyl]quinoline;3-chloro-6-(chloromethyl)quinoline;4-chloro-3-iodo-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 158808678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).