8-chloro-5-iodo-2,3-dimethyl-N-propylquinolin-4-amine

C14H16ClIN2 — CID 114260950

IUPAC8-chloro-5-iodo-2,3-dimethyl-N-propylquinolin-4-amine
SMILESCCCNc1c(C)c(C)nc2c(Cl)ccc(I)c12
InChIInChI=1S/C14H16ClIN2/c1-4-7-17-13-8(2)9(3)18-14-10(15)5-6-11(16)12(13)14/h5-6H,4,7H2,1-3H3,(H,17,18)
InChIKeyVPTJUKWQFOTERI-UHFFFAOYSA-N
MW374.65 g/mol
LogP4.93
Rot. Bonds3

About 8-chloro-5-iodo-2,3-dimethyl-N-propylquinolin-4-amine

8-chloro-5-iodo-2,3-dimethyl-N-propylquinolin-4-amine (PubChem CID 114260950) has the molecular formula C14H16ClIN2 and a molecular weight of 374.65 g/mol. Its IUPAC name is 8-chloro-5-iodo-2,3-dimethyl-N-propylquinolin-4-amine.

Molecular Properties

Compound Name8-chloro-5-iodo-2,3-dimethyl-N-propylquinolin-4-amine
PubChem CID114260950
Molecular FormulaC14H16ClIN2
Molecular Weight374.65 g/mol
Exact Mass374.00
IUPAC Name8-chloro-5-iodo-2,3-dimethyl-N-propylquinolin-4-amine
SMILESCCCNc1c(C)c(C)nc2c(Cl)ccc(I)c12
InChIInChI=1S/C14H16ClIN2/c1-4-7-17-13-8(2)9(3)18-14-10(15)5-6-11(16)12(13)14/h5-6H,4,7H2,1-3H3,(H,17,18)
InChIKeyVPTJUKWQFOTERI-UHFFFAOYSA-N
XLogP4.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.65
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-iodo-2,3-dimethyl-N-propylquinolin-4-amine?
The IUPAC name of 8-chloro-5-iodo-2,3-dimethyl-N-propylquinolin-4-amine (CID 114260950) is 8-chloro-5-iodo-2,3-dimethyl-N-propylquinolin-4-amine.
What is the SMILES notation for 8-chloro-5-iodo-2,3-dimethyl-N-propylquinolin-4-amine?
The canonical SMILES for 8-chloro-5-iodo-2,3-dimethyl-N-propylquinolin-4-amine is CCCNc1c(C)c(C)nc2c(Cl)ccc(I)c12.
What is the InChIKey of 8-chloro-5-iodo-2,3-dimethyl-N-propylquinolin-4-amine?
The InChIKey is VPTJUKWQFOTERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClIN2/c1-4-7-17-13-8(2)9(3)18-14-10(15)5-6-11(16)12(13)14/h5-6H,4,7H2,1-3H3,(H,17,18).
What are the key properties of 8-chloro-5-iodo-2,3-dimethyl-N-propylquinolin-4-amine?
8-chloro-5-iodo-2,3-dimethyl-N-propylquinolin-4-amine has a molecular weight of 374.65 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-iodo-2,3-dimethyl-N-propylquinolin-4-amine is sourced from PubChem (CID 114260950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).