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

C24H30N4O4 — CID 86767175

IUPAC8-[4-(methoxymethyl)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one
SMILESCOCC1CCN(C(=O)C2C=C3C(=NC(=O)c4cnn(C5CCOCC5)c43)C=C2C)CC1
InChIInChI=1S/C24H30N4O4/c1-15-11-21-19(12-18(15)24(30)27-7-3-16(4-8-27)14-31-2)22-20(23(29)26-21)13-25-28(22)17-5-9-32-10-6-17/h11-13,16-18H,3-10,14H2,1-2H3
InChIKeyILDOIQNNUCCFLZ-UHFFFAOYSA-N
MW438.53 g/mol
LogP2.67
Rot. Bonds4

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

8-[4-(methoxymethyl)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one (PubChem CID 86767175) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is 8-[4-(methoxymethyl)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name8-[4-(methoxymethyl)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one
PubChem CID86767175
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Name8-[4-(methoxymethyl)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one
SMILESCOCC1CCN(C(=O)C2C=C3C(=NC(=O)c4cnn(C5CCOCC5)c43)C=C2C)CC1
InChIInChI=1S/C24H30N4O4/c1-15-11-21-19(12-18(15)24(30)27-7-3-16(4-8-27)14-31-2)22-20(23(29)26-21)13-25-28(22)17-5-9-32-10-6-17/h11-13,16-18H,3-10,14H2,1-2H3
InChIKeyILDOIQNNUCCFLZ-UHFFFAOYSA-N
XLogP2.67
TPSA86.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(methoxymethyl)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of 8-[4-(methoxymethyl)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one (CID 86767175) is 8-[4-(methoxymethyl)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-(methoxymethyl)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 8-[4-(methoxymethyl)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one is COCC1CCN(C(=O)C2C=C3C(=NC(=O)c4cnn(C5CCOCC5)c43)C=C2C)CC1.
What is the InChIKey of 8-[4-(methoxymethyl)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one?
The InChIKey is ILDOIQNNUCCFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-15-11-21-19(12-18(15)24(30)27-7-3-16(4-8-27)14-31-2)22-20(23(29)26-21)13-25-28(22)17-5-9-32-10-6-17/h11-13,16-18H,3-10,14H2,1-2H3.
What are the key properties of 8-[4-(methoxymethyl)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one?
8-[4-(methoxymethyl)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one has a molecular weight of 438.53 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(methoxymethyl)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 86767175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).