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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).