4-[3-fluoro-5-[(5-phenylimidazo[1,2-a]quinolin-8-yl)methoxy]phenyl]oxane-4-carboxamide

C30H26FN3O3 — CID 24876796

IUPAC4-[3-fluoro-5-[(5-phenylimidazo[1,2-a]quinolin-8-yl)methoxy]phenyl]oxane-4-carboxamide
SMILESNC(=O)C1(c2cc(F)cc(OCc3ccc4c(-c5ccccc5)cc5nccn5c4c3)c2)CCOCC1
InChIInChI=1S/C30H26FN3O3/c31-23-15-22(30(29(32)35)8-12-36-13-9-30)16-24(17-23)37-19-20-6-7-25-26(21-4-2-1-3-5-21)18-28-33-10-11-34(28)27(25)14-20/h1-7,10-11,14-18H,8-9,12-13,19H2,(H2,32,35)
InChIKeyKHSMHMNSFNNXRM-UHFFFAOYSA-N
MW495.55 g/mol
LogP5.41
Rot. Bonds6

About 4-[3-fluoro-5-[(5-phenylimidazo[1,2-a]quinolin-8-yl)methoxy]phenyl]oxane-4-carboxamide

4-[3-fluoro-5-[(5-phenylimidazo[1,2-a]quinolin-8-yl)methoxy]phenyl]oxane-4-carboxamide (PubChem CID 24876796) has the molecular formula C30H26FN3O3 and a molecular weight of 495.55 g/mol. Its IUPAC name is 4-[3-fluoro-5-[(5-phenylimidazo[1,2-a]quinolin-8-yl)methoxy]phenyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[3-fluoro-5-[(5-phenylimidazo[1,2-a]quinolin-8-yl)methoxy]phenyl]oxane-4-carboxamide
PubChem CID24876796
Molecular FormulaC30H26FN3O3
Molecular Weight495.55 g/mol
Exact Mass495.20
IUPAC Name4-[3-fluoro-5-[(5-phenylimidazo[1,2-a]quinolin-8-yl)methoxy]phenyl]oxane-4-carboxamide
SMILESNC(=O)C1(c2cc(F)cc(OCc3ccc4c(-c5ccccc5)cc5nccn5c4c3)c2)CCOCC1
InChIInChI=1S/C30H26FN3O3/c31-23-15-22(30(29(32)35)8-12-36-13-9-30)16-24(17-23)37-19-20-6-7-25-26(21-4-2-1-3-5-21)18-28-33-10-11-34(28)27(25)14-20/h1-7,10-11,14-18H,8-9,12-13,19H2,(H2,32,35)
InChIKeyKHSMHMNSFNNXRM-UHFFFAOYSA-N
XLogP5.41
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.55
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-5-[(5-phenylimidazo[1,2-a]quinolin-8-yl)methoxy]phenyl]oxane-4-carboxamide?
The IUPAC name of 4-[3-fluoro-5-[(5-phenylimidazo[1,2-a]quinolin-8-yl)methoxy]phenyl]oxane-4-carboxamide (CID 24876796) is 4-[3-fluoro-5-[(5-phenylimidazo[1,2-a]quinolin-8-yl)methoxy]phenyl]oxane-4-carboxamide.
What is the SMILES notation for 4-[3-fluoro-5-[(5-phenylimidazo[1,2-a]quinolin-8-yl)methoxy]phenyl]oxane-4-carboxamide?
The canonical SMILES for 4-[3-fluoro-5-[(5-phenylimidazo[1,2-a]quinolin-8-yl)methoxy]phenyl]oxane-4-carboxamide is NC(=O)C1(c2cc(F)cc(OCc3ccc4c(-c5ccccc5)cc5nccn5c4c3)c2)CCOCC1.
What is the InChIKey of 4-[3-fluoro-5-[(5-phenylimidazo[1,2-a]quinolin-8-yl)methoxy]phenyl]oxane-4-carboxamide?
The InChIKey is KHSMHMNSFNNXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN3O3/c31-23-15-22(30(29(32)35)8-12-36-13-9-30)16-24(17-23)37-19-20-6-7-25-26(21-4-2-1-3-5-21)18-28-33-10-11-34(28)27(25)14-20/h1-7,10-11,14-18H,8-9,12-13,19H2,(H2,32,35).
What are the key properties of 4-[3-fluoro-5-[(5-phenylimidazo[1,2-a]quinolin-8-yl)methoxy]phenyl]oxane-4-carboxamide?
4-[3-fluoro-5-[(5-phenylimidazo[1,2-a]quinolin-8-yl)methoxy]phenyl]oxane-4-carboxamide has a molecular weight of 495.55 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-5-[(5-phenylimidazo[1,2-a]quinolin-8-yl)methoxy]phenyl]oxane-4-carboxamide is sourced from PubChem (CID 24876796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).