3-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]quinoline

C24H17F2N3O — CID 121308783

IUPAC3-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]quinoline
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1-c1cnc2ccccc2c1
InChIInChI=1S/C24H17F2N3O/c1-15-23(17-12-16-6-2-3-9-21(16)27-13-17)29-11-5-10-22(24(29)28-15)30-14-18-19(25)7-4-8-20(18)26/h2-13H,14H2,1H3
InChIKeyPOMLPOJERRTIDJ-UHFFFAOYSA-N
MW401.42 g/mol
LogP5.72
Rot. Bonds4

About 3-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]quinoline

3-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]quinoline (PubChem CID 121308783) has the molecular formula C24H17F2N3O and a molecular weight of 401.42 g/mol. Its IUPAC name is 3-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]quinoline.

Molecular Properties

Compound Name3-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]quinoline
PubChem CID121308783
Molecular FormulaC24H17F2N3O
Molecular Weight401.42 g/mol
Exact Mass401.13
IUPAC Name3-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]quinoline
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1-c1cnc2ccccc2c1
InChIInChI=1S/C24H17F2N3O/c1-15-23(17-12-16-6-2-3-9-21(16)27-13-17)29-11-5-10-22(24(29)28-15)30-14-18-19(25)7-4-8-20(18)26/h2-13H,14H2,1H3
InChIKeyPOMLPOJERRTIDJ-UHFFFAOYSA-N
XLogP5.72
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.42
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]quinoline?
The IUPAC name of 3-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]quinoline (CID 121308783) is 3-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]quinoline.
What is the SMILES notation for 3-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]quinoline?
The canonical SMILES for 3-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]quinoline is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1-c1cnc2ccccc2c1.
What is the InChIKey of 3-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]quinoline?
The InChIKey is POMLPOJERRTIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N3O/c1-15-23(17-12-16-6-2-3-9-21(16)27-13-17)29-11-5-10-22(24(29)28-15)30-14-18-19(25)7-4-8-20(18)26/h2-13H,14H2,1H3.
What are the key properties of 3-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]quinoline?
3-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]quinoline has a molecular weight of 401.42 g/mol, XLogP of 5.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]quinoline is sourced from PubChem (CID 121308783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).