4-chloro-7-iodoquinolin-8-amine

C9H6ClIN2 — CID 12604273

IUPAC4-chloro-7-iodoquinolin-8-amine
SMILESNc1c(I)ccc2c(Cl)ccnc12
InChIInChI=1S/C9H6ClIN2/c10-6-3-4-13-9-5(6)1-2-7(11)8(9)12/h1-4H,12H2
InChIKeyWQEQRFBMOVRIDN-UHFFFAOYSA-N
MW304.52 g/mol
LogP3.08
Rot. Bonds

About 4-chloro-7-iodoquinolin-8-amine

4-chloro-7-iodoquinolin-8-amine (PubChem CID 12604273) has the molecular formula C9H6ClIN2 and a molecular weight of 304.52 g/mol. Its IUPAC name is 4-chloro-7-iodoquinolin-8-amine.

Molecular Properties

Compound Name4-chloro-7-iodoquinolin-8-amine
PubChem CID12604273
Molecular FormulaC9H6ClIN2
Molecular Weight304.52 g/mol
Exact Mass303.93
IUPAC Name4-chloro-7-iodoquinolin-8-amine
SMILESNc1c(I)ccc2c(Cl)ccnc12
InChIInChI=1S/C9H6ClIN2/c10-6-3-4-13-9-5(6)1-2-7(11)8(9)12/h1-4H,12H2
InChIKeyWQEQRFBMOVRIDN-UHFFFAOYSA-N
XLogP3.08
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.52
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,9-dichloroquinolino[7,8-h]quinoline;palladium(2+);dichloride
CID 10162595
4,8-dichloro-7-fluoroquinoline
CID 130131663
3-chloro-6-iodobenzene-1,2-diamine
CID 98041765
4-chloro-7-phenyl-1,10-phenanthroline
CID 171832712
6-chloro-8-iodoquinolin-4-amine
CID 107628509
4-chloro-7-methoxy-8-methylquinoline
CID 21101954
4,5-dichloroquinolin-8-amine
CID 19592780
(8-chloro-5-iodoquinolin-4-yl)hydrazine
CID 130499502
8-chloro-3-iodo-4-methoxy-1,5-naphthyridine
CID 118407435
bis(5-chloro-7-iodoquinolin-8-ol);indium-111(3+)
CID 25009411
bis(5-chloro-7-iodoquinolin-8-ol);gallium-67(3+)
CID 25009413
8-bromo-7-chloroquinolin-4-amine
CID 103481461

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-iodoquinolin-8-amine?
The IUPAC name of 4-chloro-7-iodoquinolin-8-amine (CID 12604273) is 4-chloro-7-iodoquinolin-8-amine.
What is the SMILES notation for 4-chloro-7-iodoquinolin-8-amine?
The canonical SMILES for 4-chloro-7-iodoquinolin-8-amine is Nc1c(I)ccc2c(Cl)ccnc12.
What is the InChIKey of 4-chloro-7-iodoquinolin-8-amine?
The InChIKey is WQEQRFBMOVRIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClIN2/c10-6-3-4-13-9-5(6)1-2-7(11)8(9)12/h1-4H,12H2.
What are the key properties of 4-chloro-7-iodoquinolin-8-amine?
4-chloro-7-iodoquinolin-8-amine has a molecular weight of 304.52 g/mol, XLogP of 3.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-iodoquinolin-8-amine is sourced from PubChem (CID 12604273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).