1-[(3-chloroquinolin-6-yl)methyl]-3-iodopyrrolo[2,3-c]pyridine-5-carbonitrile

C18H10ClIN4 — CID 134178374

IUPAC1-[(3-chloroquinolin-6-yl)methyl]-3-iodopyrrolo[2,3-c]pyridine-5-carbonitrile
SMILESN#Cc1cc2c(I)cn(Cc3ccc4ncc(Cl)cc4c3)c2cn1
InChIInChI=1S/C18H10ClIN4/c19-13-4-12-3-11(1-2-17(12)23-7-13)9-24-10-16(20)15-5-14(6-21)22-8-18(15)24/h1-5,7-8,10H,9H2
InChIKeyDZLOLZVRLSCPRA-UHFFFAOYSA-N
MW444.66 g/mol
LogP4.76
Rot. Bonds2

About 1-[(3-chloroquinolin-6-yl)methyl]-3-iodopyrrolo[2,3-c]pyridine-5-carbonitrile

1-[(3-chloroquinolin-6-yl)methyl]-3-iodopyrrolo[2,3-c]pyridine-5-carbonitrile (PubChem CID 134178374) has the molecular formula C18H10ClIN4 and a molecular weight of 444.66 g/mol. Its IUPAC name is 1-[(3-chloroquinolin-6-yl)methyl]-3-iodopyrrolo[2,3-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name1-[(3-chloroquinolin-6-yl)methyl]-3-iodopyrrolo[2,3-c]pyridine-5-carbonitrile
PubChem CID134178374
Molecular FormulaC18H10ClIN4
Molecular Weight444.66 g/mol
Exact Mass443.96
IUPAC Name1-[(3-chloroquinolin-6-yl)methyl]-3-iodopyrrolo[2,3-c]pyridine-5-carbonitrile
SMILESN#Cc1cc2c(I)cn(Cc3ccc4ncc(Cl)cc4c3)c2cn1
InChIInChI=1S/C18H10ClIN4/c19-13-4-12-3-11(1-2-17(12)23-7-13)9-24-10-16(20)15-5-14(6-21)22-8-18(15)24/h1-5,7-8,10H,9H2
InChIKeyDZLOLZVRLSCPRA-UHFFFAOYSA-N
XLogP4.76
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.66
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-chloroquinolin-6-yl)methyl]-3-(methoxymethoxymethyl)pyrrolo[2,3-c]pyridine-5-carbonitrile
CID 155129255
3-chloro-6-[(4-chloro-3-iodopyrrolo[3,2-c]pyridin-1-yl)methyl]quinoline
CID 134178697
1-[(3-chloroquinolin-6-yl)methyl]-3-iodopyrazolo[4,3-c]pyridine-4-carbonitrile
CID 134178586
methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-cyanopyrrolo[2,3-b]pyridine-3-carboxylate
CID 134178184
1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[2,3-b]pyridine-3-carboxamide
CID 135354581
zinc;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-cyanopyrrolo[2,3-c]pyridine-3-carboxamide;5-bromo-1H-pyrrolo[2,3-c]pyridine;deuterio(fluoro)methane;1H-pyrrolo[2,3-c]pyridine-5-carbonitrile;dicyanide
CID 159830221
3-chloro-6-(imidazol-1-ylmethyl)quinoline
CID 174964420
1-[(3-chloroquinolin-6-yl)methyl]-5-cyanopyrazole-3-carboxamide
CID 135354866
2-(3-chloroquinolin-6-yl)acetohydrazide
CID 134178519
1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrrolo[3,2-b]pyridine-3-carboxamide
CID 155011682
lithium;1-[(3-chloroquinolin-6-yl)methyl]-5-cyanopyrrolo[2,3-b]pyridine-3-carboxylic acid;methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-cyanopyrrolo[2,3-b]pyridine-3-carboxylate;hydroxide
CID 158577660
1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide
CID 135354693

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloroquinolin-6-yl)methyl]-3-iodopyrrolo[2,3-c]pyridine-5-carbonitrile?
The IUPAC name of 1-[(3-chloroquinolin-6-yl)methyl]-3-iodopyrrolo[2,3-c]pyridine-5-carbonitrile (CID 134178374) is 1-[(3-chloroquinolin-6-yl)methyl]-3-iodopyrrolo[2,3-c]pyridine-5-carbonitrile.
What is the SMILES notation for 1-[(3-chloroquinolin-6-yl)methyl]-3-iodopyrrolo[2,3-c]pyridine-5-carbonitrile?
The canonical SMILES for 1-[(3-chloroquinolin-6-yl)methyl]-3-iodopyrrolo[2,3-c]pyridine-5-carbonitrile is N#Cc1cc2c(I)cn(Cc3ccc4ncc(Cl)cc4c3)c2cn1.
What is the InChIKey of 1-[(3-chloroquinolin-6-yl)methyl]-3-iodopyrrolo[2,3-c]pyridine-5-carbonitrile?
The InChIKey is DZLOLZVRLSCPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClIN4/c19-13-4-12-3-11(1-2-17(12)23-7-13)9-24-10-16(20)15-5-14(6-21)22-8-18(15)24/h1-5,7-8,10H,9H2.
What are the key properties of 1-[(3-chloroquinolin-6-yl)methyl]-3-iodopyrrolo[2,3-c]pyridine-5-carbonitrile?
1-[(3-chloroquinolin-6-yl)methyl]-3-iodopyrrolo[2,3-c]pyridine-5-carbonitrile has a molecular weight of 444.66 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloroquinolin-6-yl)methyl]-3-iodopyrrolo[2,3-c]pyridine-5-carbonitrile is sourced from PubChem (CID 134178374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).