3-(5-chloro-7-iodoquinolin-8-yl)oxy-2-ethoxycyclobutan-1-one

C15H13ClINO3 — CID 104675175

IUPAC3-(5-chloro-7-iodoquinolin-8-yl)oxy-2-ethoxycyclobutan-1-one
SMILESCCOC1C(=O)CC1Oc1c(I)cc(Cl)c2cccnc12
InChIInChI=1S/C15H13ClINO3/c1-2-20-15-11(19)7-12(15)21-14-10(17)6-9(16)8-4-3-5-18-13(8)14/h3-6,12,15H,2,7H2,1H3
InChIKeyRTPUFIHLLAWESA-UHFFFAOYSA-N
MW417.63 g/mol
LogP3.62
Rot. Bonds4

About 3-(5-chloro-7-iodoquinolin-8-yl)oxy-2-ethoxycyclobutan-1-one

3-(5-chloro-7-iodoquinolin-8-yl)oxy-2-ethoxycyclobutan-1-one (PubChem CID 104675175) has the molecular formula C15H13ClINO3 and a molecular weight of 417.63 g/mol. Its IUPAC name is 3-(5-chloro-7-iodoquinolin-8-yl)oxy-2-ethoxycyclobutan-1-one.

Molecular Properties

Compound Name3-(5-chloro-7-iodoquinolin-8-yl)oxy-2-ethoxycyclobutan-1-one
PubChem CID104675175
Molecular FormulaC15H13ClINO3
Molecular Weight417.63 g/mol
Exact Mass416.96
IUPAC Name3-(5-chloro-7-iodoquinolin-8-yl)oxy-2-ethoxycyclobutan-1-one
SMILESCCOC1C(=O)CC1Oc1c(I)cc(Cl)c2cccnc12
InChIInChI=1S/C15H13ClINO3/c1-2-20-15-11(19)7-12(15)21-14-10(17)6-9(16)8-4-3-5-18-13(8)14/h3-6,12,15H,2,7H2,1H3
InChIKeyRTPUFIHLLAWESA-UHFFFAOYSA-N
XLogP3.62
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.63
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(5-chloro-7-iodoquinolin-8-yl)oxy-2,2-dimethylcyclobutan-1-one
CID 66369088
3-(2-chloro-6-fluorophenoxy)-2-ethoxycyclobutan-1-one
CID 104675258
3-(4-chloronaphthalen-1-yl)oxy-2-ethoxycyclobutan-1-one
CID 104675178
zinc bis(5-chloro-7-iodo-8-(111C)methoxyquinoline)
CID 10462414
4-(5-chloro-7-iodoquinolin-8-yl)oxybutanal
CID 71517386
ethyl 2-(5-chloro-7-iodoquinolin-8-yl)oxy-2-fluoroacetate
CID 79356762
1-(5-chloro-7-iodoquinolin-8-yl)oxy-3,3-dimethylbutan-2-one
CID 24578624
butyl 2-(5-chloro-7-iodoquinolin-8-yl)oxyacetate
CID 63416672
8-[2-(bromomethyl)pentoxy]-5-chloro-7-iodoquinoline
CID 65010820
5-chloro-7-iodoquinolin-8-olate
CID 149159528
2-(5-chloro-7-iodoquinolin-8-yl)oxy-N'-hydroxyethanimidamide
CID 71319984
gallium tris((5-chloro-7-iodoquinolin-8-yl)oxidanium)
CID 4532978

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-7-iodoquinolin-8-yl)oxy-2-ethoxycyclobutan-1-one?
The IUPAC name of 3-(5-chloro-7-iodoquinolin-8-yl)oxy-2-ethoxycyclobutan-1-one (CID 104675175) is 3-(5-chloro-7-iodoquinolin-8-yl)oxy-2-ethoxycyclobutan-1-one.
What is the SMILES notation for 3-(5-chloro-7-iodoquinolin-8-yl)oxy-2-ethoxycyclobutan-1-one?
The canonical SMILES for 3-(5-chloro-7-iodoquinolin-8-yl)oxy-2-ethoxycyclobutan-1-one is CCOC1C(=O)CC1Oc1c(I)cc(Cl)c2cccnc12.
What is the InChIKey of 3-(5-chloro-7-iodoquinolin-8-yl)oxy-2-ethoxycyclobutan-1-one?
The InChIKey is RTPUFIHLLAWESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClINO3/c1-2-20-15-11(19)7-12(15)21-14-10(17)6-9(16)8-4-3-5-18-13(8)14/h3-6,12,15H,2,7H2,1H3.
What are the key properties of 3-(5-chloro-7-iodoquinolin-8-yl)oxy-2-ethoxycyclobutan-1-one?
3-(5-chloro-7-iodoquinolin-8-yl)oxy-2-ethoxycyclobutan-1-one has a molecular weight of 417.63 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-7-iodoquinolin-8-yl)oxy-2-ethoxycyclobutan-1-one is sourced from PubChem (CID 104675175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).