8-[4-(2,2-difluoroethoxy)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one

C24H28F2N4O4 — CID 86767186

IUPAC8-[4-(2,2-difluoroethoxy)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one
SMILESCC1=CC2=NC(=O)c3cnn(C4CCOCC4)c3C2=CC1C(=O)N1CCC(OCC(F)F)CC1
InChIInChI=1S/C24H28F2N4O4/c1-14-10-20-18(11-17(14)24(32)29-6-2-16(3-7-29)34-13-21(25)26)22-19(23(31)28-20)12-27-30(22)15-4-8-33-9-5-15/h10-12,15-17,21H,2-9,13H2,1H3
InChIKeyQKHGUIMXFZEZMQ-UHFFFAOYSA-N
MW474.51 g/mol
LogP3.06
Rot. Bonds5

About 8-[4-(2,2-difluoroethoxy)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one

8-[4-(2,2-difluoroethoxy)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one (PubChem CID 86767186) has the molecular formula C24H28F2N4O4 and a molecular weight of 474.51 g/mol. Its IUPAC name is 8-[4-(2,2-difluoroethoxy)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name8-[4-(2,2-difluoroethoxy)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one
PubChem CID86767186
Molecular FormulaC24H28F2N4O4
Molecular Weight474.51 g/mol
Exact Mass474.21
IUPAC Name8-[4-(2,2-difluoroethoxy)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one
SMILESCC1=CC2=NC(=O)c3cnn(C4CCOCC4)c3C2=CC1C(=O)N1CCC(OCC(F)F)CC1
InChIInChI=1S/C24H28F2N4O4/c1-14-10-20-18(11-17(14)24(32)29-6-2-16(3-7-29)34-13-21(25)26)22-19(23(31)28-20)12-27-30(22)15-4-8-33-9-5-15/h10-12,15-17,21H,2-9,13H2,1H3
InChIKeyQKHGUIMXFZEZMQ-UHFFFAOYSA-N
XLogP3.06
TPSA86.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.51
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

CID 76468622
CID 76468622
CID 77179965
CID 77179965
CID 77386587
CID 77386587
CID 86767187
CID 86767187
CID 86767194
CID 86767194
CID 86767195
CID 86767195
CID 86767199
CID 86767199
CID 86767201
CID 86767201
CID 86767202
CID 86767202
CID 86767204
CID 86767204
CID 86767205
CID 86767205
CID 86767206
CID 86767206

Frequently Asked Questions

What is the IUPAC name of 8-[4-(2,2-difluoroethoxy)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of 8-[4-(2,2-difluoroethoxy)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one (CID 86767186) is 8-[4-(2,2-difluoroethoxy)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 8-[4-(2,2-difluoroethoxy)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 8-[4-(2,2-difluoroethoxy)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one is CC1=CC2=NC(=O)c3cnn(C4CCOCC4)c3C2=CC1C(=O)N1CCC(OCC(F)F)CC1.
What is the InChIKey of 8-[4-(2,2-difluoroethoxy)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one?
The InChIKey is QKHGUIMXFZEZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N4O4/c1-14-10-20-18(11-17(14)24(32)29-6-2-16(3-7-29)34-13-21(25)26)22-19(23(31)28-20)12-27-30(22)15-4-8-33-9-5-15/h10-12,15-17,21H,2-9,13H2,1H3.
What are the key properties of 8-[4-(2,2-difluoroethoxy)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one?
8-[4-(2,2-difluoroethoxy)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one has a molecular weight of 474.51 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(2,2-difluoroethoxy)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 86767186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).