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

C22H26N4O3 — CID 86767168

IUPAC7-methyl-1-(oxan-4-yl)-8-(piperidine-1-carbonyl)-8H-pyrazolo[4,5-c]quinolin-4-one
SMILESCC1=CC2=NC(=O)c3cnn(C4CCOCC4)c3C2=CC1C(=O)N1CCCCC1
InChIInChI=1S/C22H26N4O3/c1-14-11-19-17(12-16(14)22(28)25-7-3-2-4-8-25)20-18(21(27)24-19)13-23-26(20)15-5-9-29-10-6-15/h11-13,15-16H,2-10H2,1H3
InChIKeyUTCITSHXGGDYJL-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.80
Rot. Bonds2

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

7-methyl-1-(oxan-4-yl)-8-(piperidine-1-carbonyl)-8H-pyrazolo[4,5-c]quinolin-4-one (PubChem CID 86767168) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 7-methyl-1-(oxan-4-yl)-8-(piperidine-1-carbonyl)-8H-pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name7-methyl-1-(oxan-4-yl)-8-(piperidine-1-carbonyl)-8H-pyrazolo[4,5-c]quinolin-4-one
PubChem CID86767168
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name7-methyl-1-(oxan-4-yl)-8-(piperidine-1-carbonyl)-8H-pyrazolo[4,5-c]quinolin-4-one
SMILESCC1=CC2=NC(=O)c3cnn(C4CCOCC4)c3C2=CC1C(=O)N1CCCCC1
InChIInChI=1S/C22H26N4O3/c1-14-11-19-17(12-16(14)22(28)25-7-3-2-4-8-25)20-18(21(27)24-19)13-23-26(20)15-5-9-29-10-6-15/h11-13,15-16H,2-10H2,1H3
InChIKeyUTCITSHXGGDYJL-UHFFFAOYSA-N
XLogP2.80
TPSA76.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-(oxan-4-yl)-8-(piperidine-1-carbonyl)-8H-pyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of 7-methyl-1-(oxan-4-yl)-8-(piperidine-1-carbonyl)-8H-pyrazolo[4,5-c]quinolin-4-one (CID 86767168) is 7-methyl-1-(oxan-4-yl)-8-(piperidine-1-carbonyl)-8H-pyrazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 7-methyl-1-(oxan-4-yl)-8-(piperidine-1-carbonyl)-8H-pyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 7-methyl-1-(oxan-4-yl)-8-(piperidine-1-carbonyl)-8H-pyrazolo[4,5-c]quinolin-4-one is CC1=CC2=NC(=O)c3cnn(C4CCOCC4)c3C2=CC1C(=O)N1CCCCC1.
What is the InChIKey of 7-methyl-1-(oxan-4-yl)-8-(piperidine-1-carbonyl)-8H-pyrazolo[4,5-c]quinolin-4-one?
The InChIKey is UTCITSHXGGDYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-14-11-19-17(12-16(14)22(28)25-7-3-2-4-8-25)20-18(21(27)24-19)13-23-26(20)15-5-9-29-10-6-15/h11-13,15-16H,2-10H2,1H3.
What are the key properties of 7-methyl-1-(oxan-4-yl)-8-(piperidine-1-carbonyl)-8H-pyrazolo[4,5-c]quinolin-4-one?
7-methyl-1-(oxan-4-yl)-8-(piperidine-1-carbonyl)-8H-pyrazolo[4,5-c]quinolin-4-one has a molecular weight of 394.48 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-(oxan-4-yl)-8-(piperidine-1-carbonyl)-8H-pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 86767168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).