6-chloro-8-iodoquinolin-4-amine

C9H6ClIN2 — CID 107628509

IUPAC6-chloro-8-iodoquinolin-4-amine
SMILESNc1ccnc2c(I)cc(Cl)cc12
InChIInChI=1S/C9H6ClIN2/c10-5-3-6-8(12)1-2-13-9(6)7(11)4-5/h1-4H,(H2,12,13)
InChIKeyQIRIHMOJJDAPLV-UHFFFAOYSA-N
MW304.52 g/mol
LogP3.08
Rot. Bonds

About 6-chloro-8-iodoquinolin-4-amine

6-chloro-8-iodoquinolin-4-amine (PubChem CID 107628509) has the molecular formula C9H6ClIN2 and a molecular weight of 304.52 g/mol. Its IUPAC name is 6-chloro-8-iodoquinolin-4-amine.

Molecular Properties

Compound Name6-chloro-8-iodoquinolin-4-amine
PubChem CID107628509
Molecular FormulaC9H6ClIN2
Molecular Weight304.52 g/mol
Exact Mass303.93
IUPAC Name6-chloro-8-iodoquinolin-4-amine
SMILESNc1ccnc2c(I)cc(Cl)cc12
InChIInChI=1S/C9H6ClIN2/c10-5-3-6-8(12)1-2-13-9(6)7(11)4-5/h1-4H,(H2,12,13)
InChIKeyQIRIHMOJJDAPLV-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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6,8-dichloroquinolin-4-amine
CID 16767412
7-fluoro-8-iodoquinolin-4-amine
CID 130499461
4-chloro-7-iodoquinolin-8-amine
CID 12604273
8-bromo-7-chloroquinolin-4-amine
CID 103481461
3,6-dichloro-1,8-diiodo-9H-carbazole
CID 16719908
6-chloro-8-iodo-2-methyl-3-propan-2-ylquinolin-4-amine
CID 107628850
6,8-dichloro-4-methylquinoline;ethane
CID 177201451
6,8-dichloro-4-methylquinoline;ethane
CID 177201180
4,6-dichloro-8-iodo-2-phenylquinoline
CID 107628258
6-iodo-4H-pyrrolo[3,2-f]quinazoline
CID 141101168
8-(3,5-dichlorophenoxy)quinolin-5-amine
CID 43621813
carbamic acid;6,8-difluoroquinolin-4-amine
CID 172800812

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-iodoquinolin-4-amine?
The IUPAC name of 6-chloro-8-iodoquinolin-4-amine (CID 107628509) is 6-chloro-8-iodoquinolin-4-amine.
What is the SMILES notation for 6-chloro-8-iodoquinolin-4-amine?
The canonical SMILES for 6-chloro-8-iodoquinolin-4-amine is Nc1ccnc2c(I)cc(Cl)cc12.
What is the InChIKey of 6-chloro-8-iodoquinolin-4-amine?
The InChIKey is QIRIHMOJJDAPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClIN2/c10-5-3-6-8(12)1-2-13-9(6)7(11)4-5/h1-4H,(H2,12,13).
What are the key properties of 6-chloro-8-iodoquinolin-4-amine?
6-chloro-8-iodoquinolin-4-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 6-chloro-8-iodoquinolin-4-amine is sourced from PubChem (CID 107628509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).