8-[5-(1,3-difluoropropan-2-yloxy)-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one

C24H22F2N6O2 — CID 59619832

IUPAC8-[5-(1,3-difluoropropan-2-yloxy)-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCc1nn(C)cc1-n1c(=O)n(C)c2cnc3ccc(-c4cncc(OC(CF)CF)c4)cc3c21
InChIInChI=1S/C24H22F2N6O2/c1-14-22(13-30(2)29-14)32-23-19-7-15(4-5-20(19)28-12-21(23)31(3)24(32)33)16-6-17(11-27-10-16)34-18(8-25)9-26/h4-7,10-13,18H,8-9H2,1-3H3
InChIKeyOCVPUECEYLYKRS-UHFFFAOYSA-N
MW464.48 g/mol
LogP3.67
Rot. Bonds6

About 8-[5-(1,3-difluoropropan-2-yloxy)-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one

8-[5-(1,3-difluoropropan-2-yloxy)-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 59619832) has the molecular formula C24H22F2N6O2 and a molecular weight of 464.48 g/mol. Its IUPAC name is 8-[5-(1,3-difluoropropan-2-yloxy)-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-[5-(1,3-difluoropropan-2-yloxy)-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID59619832
Molecular FormulaC24H22F2N6O2
Molecular Weight464.48 g/mol
Exact Mass464.18
IUPAC Name8-[5-(1,3-difluoropropan-2-yloxy)-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCc1nn(C)cc1-n1c(=O)n(C)c2cnc3ccc(-c4cncc(OC(CF)CF)c4)cc3c21
InChIInChI=1S/C24H22F2N6O2/c1-14-22(13-30(2)29-14)32-23-19-7-15(4-5-20(19)28-12-21(23)31(3)24(32)33)16-6-17(11-27-10-16)34-18(8-25)9-26/h4-7,10-13,18H,8-9H2,1-3H3
InChIKeyOCVPUECEYLYKRS-UHFFFAOYSA-N
XLogP3.67
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

CID 118502708
CID 118502708
CID 126689157
CID 126689157
CID 122599280
CID 122599280
CID 56847587
CID 56847587
CID 44191040
CID 44191040
CID 118498683
CID 118498683
CID 118498935
CID 118498935
CID 118499887
CID 118499887
CID 118500050
CID 118500050
CID 118500097
CID 118500097
CID 118500108
CID 118500108
CID 118502895
CID 118502895

Frequently Asked Questions

What is the IUPAC name of 8-[5-(1,3-difluoropropan-2-yloxy)-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-[5-(1,3-difluoropropan-2-yloxy)-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one (CID 59619832) is 8-[5-(1,3-difluoropropan-2-yloxy)-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-[5-(1,3-difluoropropan-2-yloxy)-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-[5-(1,3-difluoropropan-2-yloxy)-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one is Cc1nn(C)cc1-n1c(=O)n(C)c2cnc3ccc(-c4cncc(OC(CF)CF)c4)cc3c21.
What is the InChIKey of 8-[5-(1,3-difluoropropan-2-yloxy)-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is OCVPUECEYLYKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N6O2/c1-14-22(13-30(2)29-14)32-23-19-7-15(4-5-20(19)28-12-21(23)31(3)24(32)33)16-6-17(11-27-10-16)34-18(8-25)9-26/h4-7,10-13,18H,8-9H2,1-3H3.
What are the key properties of 8-[5-(1,3-difluoropropan-2-yloxy)-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
8-[5-(1,3-difluoropropan-2-yloxy)-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 464.48 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(1,3-difluoropropan-2-yloxy)-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 59619832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).