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

C23H29N5O3 — CID 136505783

IUPAC8-(2,4-dimethylpiperazine-1-carbonyl)-7-methyl-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one
SMILESCc1cc2[nH]c(=O)c3cnn(C4CCOCC4)c3c2cc1C(=O)N1CCN(C)CC1C
InChIInChI=1S/C23H29N5O3/c1-14-10-20-18(11-17(14)23(30)27-7-6-26(3)13-15(27)2)21-19(22(29)25-20)12-24-28(21)16-4-8-31-9-5-16/h10-12,15-16H,4-9,13H2,1-3H3,(H,25,29)
InChIKeyVQVSEVUWTFUQPK-UHFFFAOYSA-N
MW423.52 g/mol
LogP2.31
Rot. Bonds2

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

8-(2,4-dimethylpiperazine-1-carbonyl)-7-methyl-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one (PubChem CID 136505783) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is 8-(2,4-dimethylpiperazine-1-carbonyl)-7-methyl-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name8-(2,4-dimethylpiperazine-1-carbonyl)-7-methyl-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one
PubChem CID136505783
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Name8-(2,4-dimethylpiperazine-1-carbonyl)-7-methyl-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one
SMILESCc1cc2[nH]c(=O)c3cnn(C4CCOCC4)c3c2cc1C(=O)N1CCN(C)CC1C
InChIInChI=1S/C23H29N5O3/c1-14-10-20-18(11-17(14)23(30)27-7-6-26(3)13-15(27)2)21-19(22(29)25-20)12-24-28(21)16-4-8-31-9-5-16/h10-12,15-16H,4-9,13H2,1-3H3,(H,25,29)
InChIKeyVQVSEVUWTFUQPK-UHFFFAOYSA-N
XLogP2.31
TPSA83.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-(2,4-dimethylpiperazine-1-carbonyl)-7-methyl-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one with MolForge

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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
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
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
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
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
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
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
7-methyl-8-[(3R)-3-[methyl(3,3,3-trifluoropropyl)amino]pyrrolidine-1-carbonyl]-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136506004
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
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-methyl-8-[3-[methyl(3,3,3-trifluoropropyl)amino]azetidine-1-carbonyl]-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136506005

Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dimethylpiperazine-1-carbonyl)-7-methyl-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of 8-(2,4-dimethylpiperazine-1-carbonyl)-7-methyl-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one (CID 136505783) is 8-(2,4-dimethylpiperazine-1-carbonyl)-7-methyl-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 8-(2,4-dimethylpiperazine-1-carbonyl)-7-methyl-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 8-(2,4-dimethylpiperazine-1-carbonyl)-7-methyl-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one is Cc1cc2[nH]c(=O)c3cnn(C4CCOCC4)c3c2cc1C(=O)N1CCN(C)CC1C.
What is the InChIKey of 8-(2,4-dimethylpiperazine-1-carbonyl)-7-methyl-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one?
The InChIKey is VQVSEVUWTFUQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-14-10-20-18(11-17(14)23(30)27-7-6-26(3)13-15(27)2)21-19(22(29)25-20)12-24-28(21)16-4-8-31-9-5-16/h10-12,15-16H,4-9,13H2,1-3H3,(H,25,29).
What are the key properties of 8-(2,4-dimethylpiperazine-1-carbonyl)-7-methyl-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one?
8-(2,4-dimethylpiperazine-1-carbonyl)-7-methyl-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one has a molecular weight of 423.52 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dimethylpiperazine-1-carbonyl)-7-methyl-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 136505783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).