1-cyclobutyl-8-[4-(3-methoxypropyl)-3-methylpiperazine-1-carbonyl]-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one

C25H33N5O3 — CID 136619049

IUPAC1-cyclobutyl-8-[4-(3-methoxypropyl)-3-methylpiperazine-1-carbonyl]-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one
SMILESCOCCCN1CCN(C(=O)c2cc3c(cc2C)[nH]c(=O)c2cnn(C4CCC4)c23)CC1C
InChIInChI=1S/C25H33N5O3/c1-16-12-22-20(23-21(24(31)27-22)14-26-30(23)18-6-4-7-18)13-19(16)25(32)29-10-9-28(17(2)15-29)8-5-11-33-3/h12-14,17-18H,4-11,15H2,1-3H3,(H,27,31)
InChIKeyVISJRIAOCXZYMQ-UHFFFAOYSA-N
MW451.57 g/mol
LogP3.09
Rot. Bonds6

About 1-cyclobutyl-8-[4-(3-methoxypropyl)-3-methylpiperazine-1-carbonyl]-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one

1-cyclobutyl-8-[4-(3-methoxypropyl)-3-methylpiperazine-1-carbonyl]-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one (PubChem CID 136619049) has the molecular formula C25H33N5O3 and a molecular weight of 451.57 g/mol. Its IUPAC name is 1-cyclobutyl-8-[4-(3-methoxypropyl)-3-methylpiperazine-1-carbonyl]-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name1-cyclobutyl-8-[4-(3-methoxypropyl)-3-methylpiperazine-1-carbonyl]-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one
PubChem CID136619049
Molecular FormulaC25H33N5O3
Molecular Weight451.57 g/mol
Exact Mass451.26
IUPAC Name1-cyclobutyl-8-[4-(3-methoxypropyl)-3-methylpiperazine-1-carbonyl]-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one
SMILESCOCCCN1CCN(C(=O)c2cc3c(cc2C)[nH]c(=O)c2cnn(C4CCC4)c23)CC1C
InChIInChI=1S/C25H33N5O3/c1-16-12-22-20(23-21(24(31)27-22)14-26-30(23)18-6-4-7-18)13-19(16)25(32)29-10-9-28(17(2)15-29)8-5-11-33-3/h12-14,17-18H,4-11,15H2,1-3H3,(H,27,31)
InChIKeyVISJRIAOCXZYMQ-UHFFFAOYSA-N
XLogP3.09
TPSA83.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentyl-8-[(3R)-4-(3-methoxypropyl)-3-methylpiperazine-1-carbonyl]-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136505941
1-cyclopentyl-8-[(3S)-4-(3-methoxypropyl)-3-methylpiperazine-1-carbonyl]-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one;methane
CID 161418209
8-[(3S)-4-(3-methoxypropyl)-3-methylpiperazine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136505572
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-(5-methoxypentyl)piperazine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one;hydrochloride
CID 162307711
8-[(3S)-4-[2-(cyclopropylmethoxy)ethyl]-3-methylpiperazine-1-carbonyl]-7-methyl-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136505633
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-[(3S)-3-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carbonyl]-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136505860
1-cyclopentyl-7-methyl-8-[4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-5H-pyrazolo[4,5-c]quinolin-4-one
CID 162545012
1-cyclopentyl-7-methyl-8-[4-(4-methylpiperazine-1-carbonyl)piperidine-1-carbonyl]-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136505747
8-[(3S)-4-[(1-ethylpyrazol-3-yl)methyl]-3-methylpiperazine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136505856

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-8-[4-(3-methoxypropyl)-3-methylpiperazine-1-carbonyl]-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of 1-cyclobutyl-8-[4-(3-methoxypropyl)-3-methylpiperazine-1-carbonyl]-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one (CID 136619049) is 1-cyclobutyl-8-[4-(3-methoxypropyl)-3-methylpiperazine-1-carbonyl]-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 1-cyclobutyl-8-[4-(3-methoxypropyl)-3-methylpiperazine-1-carbonyl]-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 1-cyclobutyl-8-[4-(3-methoxypropyl)-3-methylpiperazine-1-carbonyl]-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one is COCCCN1CCN(C(=O)c2cc3c(cc2C)[nH]c(=O)c2cnn(C4CCC4)c23)CC1C.
What is the InChIKey of 1-cyclobutyl-8-[4-(3-methoxypropyl)-3-methylpiperazine-1-carbonyl]-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one?
The InChIKey is VISJRIAOCXZYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O3/c1-16-12-22-20(23-21(24(31)27-22)14-26-30(23)18-6-4-7-18)13-19(16)25(32)29-10-9-28(17(2)15-29)8-5-11-33-3/h12-14,17-18H,4-11,15H2,1-3H3,(H,27,31).
What are the key properties of 1-cyclobutyl-8-[4-(3-methoxypropyl)-3-methylpiperazine-1-carbonyl]-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one?
1-cyclobutyl-8-[4-(3-methoxypropyl)-3-methylpiperazine-1-carbonyl]-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one has a molecular weight of 451.57 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-8-[4-(3-methoxypropyl)-3-methylpiperazine-1-carbonyl]-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 136619049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).