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

C25H33N5O3 — CID 136505596

IUPAC7-methyl-1-(oxan-4-ylmethyl)-8-(4-propylpiperazine-1-carbonyl)-5H-pyrazolo[4,5-c]quinolin-4-one
SMILESCCCN1CCN(C(=O)c2cc3c(cc2C)[nH]c(=O)c2cnn(CC4CCOCC4)c23)CC1
InChIInChI=1S/C25H33N5O3/c1-3-6-28-7-9-29(10-8-28)25(32)19-14-20-22(13-17(19)2)27-24(31)21-15-26-30(23(20)21)16-18-4-11-33-12-5-18/h13-15,18H,3-12,16H2,1-2H3,(H,27,31)
InChIKeyPYJMVMPVRSAKDL-UHFFFAOYSA-N
MW451.57 g/mol
LogP2.78
Rot. Bonds5

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

7-methyl-1-(oxan-4-ylmethyl)-8-(4-propylpiperazine-1-carbonyl)-5H-pyrazolo[4,5-c]quinolin-4-one (PubChem CID 136505596) has the molecular formula C25H33N5O3 and a molecular weight of 451.57 g/mol. Its IUPAC name is 7-methyl-1-(oxan-4-ylmethyl)-8-(4-propylpiperazine-1-carbonyl)-5H-pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name7-methyl-1-(oxan-4-ylmethyl)-8-(4-propylpiperazine-1-carbonyl)-5H-pyrazolo[4,5-c]quinolin-4-one
PubChem CID136505596
Molecular FormulaC25H33N5O3
Molecular Weight451.57 g/mol
Exact Mass451.26
IUPAC Name7-methyl-1-(oxan-4-ylmethyl)-8-(4-propylpiperazine-1-carbonyl)-5H-pyrazolo[4,5-c]quinolin-4-one
SMILESCCCN1CCN(C(=O)c2cc3c(cc2C)[nH]c(=O)c2cnn(CC4CCOCC4)c23)CC1
InChIInChI=1S/C25H33N5O3/c1-3-6-28-7-9-29(10-8-28)25(32)19-14-20-22(13-17(19)2)27-24(31)21-15-26-30(23(20)21)16-18-4-11-33-12-5-18/h13-15,18H,3-12,16H2,1-2H3,(H,27,31)
InChIKeyPYJMVMPVRSAKDL-UHFFFAOYSA-N
XLogP2.78
TPSA83.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-methyl-1-(oxan-4-yl)-8-(4-propylpiperazine-1-carbonyl)-5H-pyrazolo[4,5-c]quinolin-4-one;hydrochloride
CID 169430023
8-[4-(5-methoxypentyl)piperazine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one;hydrochloride
CID 162307711
8-[4-(2-ethoxyethyl)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136618931
8-[4-(5-methoxypentyl)piperazine-1-carbonyl]-7-methyl-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136619104
1-cycloheptyl-8-(4-hexylpiperazine-1-carbonyl)-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one
CID 137152331
7-methyl-8-[4-[(2-methylpyrimidin-5-yl)methyl]piperazine-1-carbonyl]-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136505912
1-(cyclobutylmethyl)-8-[(3R)-4-(4-methoxybutyl)-3-methylpiperazine-1-carbonyl]-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one;hydrochloride
CID 162337000
8-[4-[(4,6-dimethoxypyrimidin-2-yl)methyl]piperazine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136505772
7-ethyl-8-[4-(5-methoxypentyl)piperazine-1-carbonyl]-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one
CID 137152318
7-methyl-8-[4-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carbonyl]-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136505824
1-cyclopentyl-7-methyl-8-[4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-5H-pyrazolo[4,5-c]quinolin-4-one
CID 162545012
methane;7-methyl-8-[(3R)-3-[methyl(propyl)amino]pyrrolidine-1-carbonyl]-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one;hydrochloride
CID 159177389

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-(oxan-4-ylmethyl)-8-(4-propylpiperazine-1-carbonyl)-5H-pyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of 7-methyl-1-(oxan-4-ylmethyl)-8-(4-propylpiperazine-1-carbonyl)-5H-pyrazolo[4,5-c]quinolin-4-one (CID 136505596) is 7-methyl-1-(oxan-4-ylmethyl)-8-(4-propylpiperazine-1-carbonyl)-5H-pyrazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 7-methyl-1-(oxan-4-ylmethyl)-8-(4-propylpiperazine-1-carbonyl)-5H-pyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 7-methyl-1-(oxan-4-ylmethyl)-8-(4-propylpiperazine-1-carbonyl)-5H-pyrazolo[4,5-c]quinolin-4-one is CCCN1CCN(C(=O)c2cc3c(cc2C)[nH]c(=O)c2cnn(CC4CCOCC4)c23)CC1.
What is the InChIKey of 7-methyl-1-(oxan-4-ylmethyl)-8-(4-propylpiperazine-1-carbonyl)-5H-pyrazolo[4,5-c]quinolin-4-one?
The InChIKey is PYJMVMPVRSAKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O3/c1-3-6-28-7-9-29(10-8-28)25(32)19-14-20-22(13-17(19)2)27-24(31)21-15-26-30(23(20)21)16-18-4-11-33-12-5-18/h13-15,18H,3-12,16H2,1-2H3,(H,27,31).
What are the key properties of 7-methyl-1-(oxan-4-ylmethyl)-8-(4-propylpiperazine-1-carbonyl)-5H-pyrazolo[4,5-c]quinolin-4-one?
7-methyl-1-(oxan-4-ylmethyl)-8-(4-propylpiperazine-1-carbonyl)-5H-pyrazolo[4,5-c]quinolin-4-one has a molecular weight of 451.57 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-(oxan-4-ylmethyl)-8-(4-propylpiperazine-1-carbonyl)-5H-pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 136505596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).