8-[(2S)-butan-2-yl]oxy-5,7-dichloroquinoline

C13H13Cl2NO — CID 100613714

IUPAC8-[(2S)-butan-2-yl]oxy-5,7-dichloroquinoline
SMILESCC[C@H](C)Oc1c(Cl)cc(Cl)c2cccnc12
InChIInChI=1S/C13H13Cl2NO/c1-3-8(2)17-13-11(15)7-10(14)9-5-4-6-16-12(9)13/h4-8H,3H2,1-2H3/t8-/m0/s1
InChIKeyHWQMLFXFYCSCNZ-QMMMGPOBSA-N
MW270.16 g/mol
LogP4.72
Rot. Bonds3

About 8-[(2S)-butan-2-yl]oxy-5,7-dichloroquinoline

8-[(2S)-butan-2-yl]oxy-5,7-dichloroquinoline (PubChem CID 100613714) has the molecular formula C13H13Cl2NO and a molecular weight of 270.16 g/mol. Its IUPAC name is 8-[(2S)-butan-2-yl]oxy-5,7-dichloroquinoline.

Molecular Properties

Compound Name8-[(2S)-butan-2-yl]oxy-5,7-dichloroquinoline
PubChem CID100613714
Molecular FormulaC13H13Cl2NO
Molecular Weight270.16 g/mol
Exact Mass269.04
IUPAC Name8-[(2S)-butan-2-yl]oxy-5,7-dichloroquinoline
SMILESCC[C@H](C)Oc1c(Cl)cc(Cl)c2cccnc12
InChIInChI=1S/C13H13Cl2NO/c1-3-8(2)17-13-11(15)7-10(14)9-5-4-6-16-12(9)13/h4-8H,3H2,1-2H3/t8-/m0/s1
InChIKeyHWQMLFXFYCSCNZ-QMMMGPOBSA-N
XLogP4.72
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-5-chloro-8-methoxyquinoline
CID 58763008
3-butan-2-yloxy-2-chloropyridine
CID 65102026
5-chloro-7-pentan-3-ylquinolin-8-ol
CID 91402893
N-[2-(5,7-dibromoquinolin-8-yl)oxypropyl]butan-2-amine
CID 63516068
8-[(2S)-butan-2-yl]oxyquinoline
CID 99646584
8-butan-2-yloxyquinoline-5-carbaldehyde
CID 133164872
zinc bis(5-chloro-7-iodo-8-(111C)methoxyquinoline)
CID 10462414
ethyl 2-(5-chloro-7-iodoquinolin-8-yl)oxy-2-fluoroacetate
CID 79356762
tris(5,7-dichloroquinolin-8-olate);europium(3+)
CID 171040997
5,7-dichloroquinolin-8-ol;nickel
CID 175096460
9,10-di(butan-2-yloxy)-2-chloroanthracene
CID 139930239
8-[2-(bromomethyl)pentoxy]-5-chloro-7-iodoquinoline
CID 65010820

Frequently Asked Questions

What is the IUPAC name of 8-[(2S)-butan-2-yl]oxy-5,7-dichloroquinoline?
The IUPAC name of 8-[(2S)-butan-2-yl]oxy-5,7-dichloroquinoline (CID 100613714) is 8-[(2S)-butan-2-yl]oxy-5,7-dichloroquinoline.
What is the SMILES notation for 8-[(2S)-butan-2-yl]oxy-5,7-dichloroquinoline?
The canonical SMILES for 8-[(2S)-butan-2-yl]oxy-5,7-dichloroquinoline is CC[C@H](C)Oc1c(Cl)cc(Cl)c2cccnc12.
What is the InChIKey of 8-[(2S)-butan-2-yl]oxy-5,7-dichloroquinoline?
The InChIKey is HWQMLFXFYCSCNZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H13Cl2NO/c1-3-8(2)17-13-11(15)7-10(14)9-5-4-6-16-12(9)13/h4-8H,3H2,1-2H3/t8-/m0/s1.
What are the key properties of 8-[(2S)-butan-2-yl]oxy-5,7-dichloroquinoline?
8-[(2S)-butan-2-yl]oxy-5,7-dichloroquinoline has a molecular weight of 270.16 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2S)-butan-2-yl]oxy-5,7-dichloroquinoline is sourced from PubChem (CID 100613714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).