8-[(1-butyltetrazol-5-yl)methoxy]-5-chloro-7-iodoquinoline

C15H15ClIN5O — CID 24578709

IUPAC8-[(1-butyltetrazol-5-yl)methoxy]-5-chloro-7-iodoquinoline
SMILESCCCCn1nnnc1COc1c(I)cc(Cl)c2cccnc12
InChIInChI=1S/C15H15ClIN5O/c1-2-3-7-22-13(19-20-21-22)9-23-15-12(17)8-11(16)10-5-4-6-18-14(10)15/h4-6,8H,2-3,7,9H2,1H3
InChIKeyGOHLPHCGEDLOQA-UHFFFAOYSA-N
MW443.68 g/mol
LogP3.86
Rot. Bonds6

About 8-[(1-butyltetrazol-5-yl)methoxy]-5-chloro-7-iodoquinoline

8-[(1-butyltetrazol-5-yl)methoxy]-5-chloro-7-iodoquinoline (PubChem CID 24578709) has the molecular formula C15H15ClIN5O and a molecular weight of 443.68 g/mol. Its IUPAC name is 8-[(1-butyltetrazol-5-yl)methoxy]-5-chloro-7-iodoquinoline.

Molecular Properties

Compound Name8-[(1-butyltetrazol-5-yl)methoxy]-5-chloro-7-iodoquinoline
PubChem CID24578709
Molecular FormulaC15H15ClIN5O
Molecular Weight443.68 g/mol
Exact Mass443.00
IUPAC Name8-[(1-butyltetrazol-5-yl)methoxy]-5-chloro-7-iodoquinoline
SMILESCCCCn1nnnc1COc1c(I)cc(Cl)c2cccnc12
InChIInChI=1S/C15H15ClIN5O/c1-2-3-7-22-13(19-20-21-22)9-23-15-12(17)8-11(16)10-5-4-6-18-14(10)15/h4-6,8H,2-3,7,9H2,1H3
InChIKeyGOHLPHCGEDLOQA-UHFFFAOYSA-N
XLogP3.86
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.68
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[(1-butyltetrazol-5-yl)methoxy]-5-chloro-7-iodoquinoline?
The IUPAC name of 8-[(1-butyltetrazol-5-yl)methoxy]-5-chloro-7-iodoquinoline (CID 24578709) is 8-[(1-butyltetrazol-5-yl)methoxy]-5-chloro-7-iodoquinoline.
What is the SMILES notation for 8-[(1-butyltetrazol-5-yl)methoxy]-5-chloro-7-iodoquinoline?
The canonical SMILES for 8-[(1-butyltetrazol-5-yl)methoxy]-5-chloro-7-iodoquinoline is CCCCn1nnnc1COc1c(I)cc(Cl)c2cccnc12.
What is the InChIKey of 8-[(1-butyltetrazol-5-yl)methoxy]-5-chloro-7-iodoquinoline?
The InChIKey is GOHLPHCGEDLOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClIN5O/c1-2-3-7-22-13(19-20-21-22)9-23-15-12(17)8-11(16)10-5-4-6-18-14(10)15/h4-6,8H,2-3,7,9H2,1H3.
What are the key properties of 8-[(1-butyltetrazol-5-yl)methoxy]-5-chloro-7-iodoquinoline?
8-[(1-butyltetrazol-5-yl)methoxy]-5-chloro-7-iodoquinoline has a molecular weight of 443.68 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1-butyltetrazol-5-yl)methoxy]-5-chloro-7-iodoquinoline is sourced from PubChem (CID 24578709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).