1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-quinolin-5-ylethanone

C26H19F2N3O2 — CID 146750132

IUPAC1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-quinolin-5-ylethanone
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)Cc1cccc2ncccc12
InChIInChI=1S/C26H19F2N3O2/c1-16-25(23(32)14-17-6-2-10-22-18(17)7-4-12-29-22)31-13-5-11-24(26(31)30-16)33-15-19-20(27)8-3-9-21(19)28/h2-13H,14-15H2,1H3
InChIKeyRNAZWOXYXJTVDN-UHFFFAOYSA-N
MW443.45 g/mol
LogP5.47
Rot. Bonds6

About 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-quinolin-5-ylethanone

1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-quinolin-5-ylethanone (PubChem CID 146750132) has the molecular formula C26H19F2N3O2 and a molecular weight of 443.45 g/mol. Its IUPAC name is 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-quinolin-5-ylethanone.

Molecular Properties

Compound Name1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-quinolin-5-ylethanone
PubChem CID146750132
Molecular FormulaC26H19F2N3O2
Molecular Weight443.45 g/mol
Exact Mass443.14
IUPAC Name1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-quinolin-5-ylethanone
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)Cc1cccc2ncccc12
InChIInChI=1S/C26H19F2N3O2/c1-16-25(23(32)14-17-6-2-10-22-18(17)7-4-12-29-22)31-13-5-11-24(26(31)30-16)33-15-19-20(27)8-3-9-21(19)28/h2-13H,14-15H2,1H3
InChIKeyRNAZWOXYXJTVDN-UHFFFAOYSA-N
XLogP5.47
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.45
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone
CID 90286489
Methanone, (7-ethyl-5-methoxyimidazo[1,2-a]quinolin-2-yl)phenyl-
CID 10314568
(12S)-N,N,4,5-tetramethyl-12-(2-methylphenyl)-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide
CID 11245432
(12S)-N,N,4,5-tetramethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide
CID 11450928
(12S)-12-(4-fluorophenyl)-N,N,4,5-tetramethyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide
CID 11485439
(5-Methoxyimidazo[1,2-a]quinolin-2-yl)-phenylmethanone
CID 13055762
(5-Methoxy-7-methylimidazo[1,2-a]quinolin-2-yl)-phenylmethanone
CID 13055764
(7-Ethyl-5-methoxy-4-methylimidazo[1,2-a]quinolin-2-yl)-phenylmethanone
CID 13279132
(4,7-Diethyl-5-methoxyimidazo[1,2-a]quinolin-2-yl)-phenylmethanone
CID 13279134
N,N,2,3-Tetramethyl-9-(2-methylphenyl)-8,9-dihydro-7H-imidazo[1,2-a]pyrano[2,3-c]pyridine-6-carboxamide
CID 23729812
9-(2-Fluorophenyl)-N,N,2,3-tetramethyl-8,9-dihydro-7H-imidazo[1,2-a]pyrano[2,3-c]pyridine-6-carboxamide
CID 23729813
N,N,2,3-Tetramethyl-9-phenyl-8,9-dihydro-7H-imidazo[1,2-a]pyrano[2,3-c]pyridine-6-carboxamide
CID 23730168

Frequently Asked Questions

What is the IUPAC name of 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-quinolin-5-ylethanone?
The IUPAC name of 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-quinolin-5-ylethanone (CID 146750132) is 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-quinolin-5-ylethanone.
What is the SMILES notation for 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-quinolin-5-ylethanone?
The canonical SMILES for 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-quinolin-5-ylethanone is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)Cc1cccc2ncccc12.
What is the InChIKey of 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-quinolin-5-ylethanone?
The InChIKey is RNAZWOXYXJTVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2N3O2/c1-16-25(23(32)14-17-6-2-10-22-18(17)7-4-12-29-22)31-13-5-11-24(26(31)30-16)33-15-19-20(27)8-3-9-21(19)28/h2-13H,14-15H2,1H3.
What are the key properties of 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-quinolin-5-ylethanone?
1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-quinolin-5-ylethanone has a molecular weight of 443.45 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-quinolin-5-ylethanone is sourced from PubChem (CID 146750132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).