4-(3-fluoro-5-imidazo[1,2-a]quinolin-7-ylsulfanylphenyl)oxane-4-carbonitrile

C23H18FN3OS — CID 24876539

IUPAC4-(3-fluoro-5-imidazo[1,2-a]quinolin-7-ylsulfanylphenyl)oxane-4-carbonitrile
SMILESN#CC1(c2cc(F)cc(Sc3ccc4c(ccc5nccn54)c3)c2)CCOCC1
InChIInChI=1S/C23H18FN3OS/c24-18-12-17(23(15-25)5-9-28-10-6-23)13-20(14-18)29-19-2-3-21-16(11-19)1-4-22-26-7-8-27(21)22/h1-4,7-8,11-14H,5-6,9-10H2
InChIKeyYCZXZMQAWCBMRZ-UHFFFAOYSA-N
MW403.48 g/mol
LogP5.35
Rot. Bonds3

About 4-(3-fluoro-5-imidazo[1,2-a]quinolin-7-ylsulfanylphenyl)oxane-4-carbonitrile

4-(3-fluoro-5-imidazo[1,2-a]quinolin-7-ylsulfanylphenyl)oxane-4-carbonitrile (PubChem CID 24876539) has the molecular formula C23H18FN3OS and a molecular weight of 403.48 g/mol. Its IUPAC name is 4-(3-fluoro-5-imidazo[1,2-a]quinolin-7-ylsulfanylphenyl)oxane-4-carbonitrile.

Molecular Properties

Compound Name4-(3-fluoro-5-imidazo[1,2-a]quinolin-7-ylsulfanylphenyl)oxane-4-carbonitrile
PubChem CID24876539
Molecular FormulaC23H18FN3OS
Molecular Weight403.48 g/mol
Exact Mass403.12
IUPAC Name4-(3-fluoro-5-imidazo[1,2-a]quinolin-7-ylsulfanylphenyl)oxane-4-carbonitrile
SMILESN#CC1(c2cc(F)cc(Sc3ccc4c(ccc5nccn54)c3)c2)CCOCC1
InChIInChI=1S/C23H18FN3OS/c24-18-12-17(23(15-25)5-9-28-10-6-23)13-20(14-18)29-19-2-3-21-16(11-19)1-4-22-26-7-8-27(21)22/h1-4,7-8,11-14H,5-6,9-10H2
InChIKeyYCZXZMQAWCBMRZ-UHFFFAOYSA-N
XLogP5.35
TPSA50.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.48
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-5-imidazo[1,2-a]quinolin-7-ylsulfanylphenyl)oxane-4-carbonitrile?
The IUPAC name of 4-(3-fluoro-5-imidazo[1,2-a]quinolin-7-ylsulfanylphenyl)oxane-4-carbonitrile (CID 24876539) is 4-(3-fluoro-5-imidazo[1,2-a]quinolin-7-ylsulfanylphenyl)oxane-4-carbonitrile.
What is the SMILES notation for 4-(3-fluoro-5-imidazo[1,2-a]quinolin-7-ylsulfanylphenyl)oxane-4-carbonitrile?
The canonical SMILES for 4-(3-fluoro-5-imidazo[1,2-a]quinolin-7-ylsulfanylphenyl)oxane-4-carbonitrile is N#CC1(c2cc(F)cc(Sc3ccc4c(ccc5nccn54)c3)c2)CCOCC1.
What is the InChIKey of 4-(3-fluoro-5-imidazo[1,2-a]quinolin-7-ylsulfanylphenyl)oxane-4-carbonitrile?
The InChIKey is YCZXZMQAWCBMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3OS/c24-18-12-17(23(15-25)5-9-28-10-6-23)13-20(14-18)29-19-2-3-21-16(11-19)1-4-22-26-7-8-27(21)22/h1-4,7-8,11-14H,5-6,9-10H2.
What are the key properties of 4-(3-fluoro-5-imidazo[1,2-a]quinolin-7-ylsulfanylphenyl)oxane-4-carbonitrile?
4-(3-fluoro-5-imidazo[1,2-a]quinolin-7-ylsulfanylphenyl)oxane-4-carbonitrile has a molecular weight of 403.48 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-5-imidazo[1,2-a]quinolin-7-ylsulfanylphenyl)oxane-4-carbonitrile is sourced from PubChem (CID 24876539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).