(3-chloro-6-iodo-2-phenylquinolin-4-yl)-imidazol-1-ylmethanone

C19H11ClIN3O — CID 130405394

IUPAC(3-chloro-6-iodo-2-phenylquinolin-4-yl)-imidazol-1-ylmethanone
SMILESO=C(c1c(Cl)c(-c2ccccc2)nc2ccc(I)cc12)n1ccnc1
InChIInChI=1S/C19H11ClIN3O/c20-17-16(19(25)24-9-8-22-11-24)14-10-13(21)6-7-15(14)23-18(17)12-4-2-1-3-5-12/h1-11H
InChIKeyVSCQARNDMSRVAP-UHFFFAOYSA-N
MW459.67 g/mol
LogP5.04
Rot. Bonds2

About (3-chloro-6-iodo-2-phenylquinolin-4-yl)-imidazol-1-ylmethanone

(3-chloro-6-iodo-2-phenylquinolin-4-yl)-imidazol-1-ylmethanone (PubChem CID 130405394) has the molecular formula C19H11ClIN3O and a molecular weight of 459.67 g/mol. Its IUPAC name is (3-chloro-6-iodo-2-phenylquinolin-4-yl)-imidazol-1-ylmethanone.

Molecular Properties

Compound Name(3-chloro-6-iodo-2-phenylquinolin-4-yl)-imidazol-1-ylmethanone
PubChem CID130405394
Molecular FormulaC19H11ClIN3O
Molecular Weight459.67 g/mol
Exact Mass458.96
IUPAC Name(3-chloro-6-iodo-2-phenylquinolin-4-yl)-imidazol-1-ylmethanone
SMILESO=C(c1c(Cl)c(-c2ccccc2)nc2ccc(I)cc12)n1ccnc1
InChIInChI=1S/C19H11ClIN3O/c20-17-16(19(25)24-9-8-22-11-24)14-10-13(21)6-7-15(14)23-18(17)12-4-2-1-3-5-12/h1-11H
InChIKeyVSCQARNDMSRVAP-UHFFFAOYSA-N
XLogP5.04
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.67
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-6-iodo-2-phenylquinolin-4-yl)-imidazol-1-ylmethanone?
The IUPAC name of (3-chloro-6-iodo-2-phenylquinolin-4-yl)-imidazol-1-ylmethanone (CID 130405394) is (3-chloro-6-iodo-2-phenylquinolin-4-yl)-imidazol-1-ylmethanone.
What is the SMILES notation for (3-chloro-6-iodo-2-phenylquinolin-4-yl)-imidazol-1-ylmethanone?
The canonical SMILES for (3-chloro-6-iodo-2-phenylquinolin-4-yl)-imidazol-1-ylmethanone is O=C(c1c(Cl)c(-c2ccccc2)nc2ccc(I)cc12)n1ccnc1.
What is the InChIKey of (3-chloro-6-iodo-2-phenylquinolin-4-yl)-imidazol-1-ylmethanone?
The InChIKey is VSCQARNDMSRVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClIN3O/c20-17-16(19(25)24-9-8-22-11-24)14-10-13(21)6-7-15(14)23-18(17)12-4-2-1-3-5-12/h1-11H.
What are the key properties of (3-chloro-6-iodo-2-phenylquinolin-4-yl)-imidazol-1-ylmethanone?
(3-chloro-6-iodo-2-phenylquinolin-4-yl)-imidazol-1-ylmethanone has a molecular weight of 459.67 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-6-iodo-2-phenylquinolin-4-yl)-imidazol-1-ylmethanone is sourced from PubChem (CID 130405394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).