2-(4-ethylphenyl)-8-[(3R)-3-methylpiperidine-1-carbonyl]-1H-pyrazolo[4,3-c]quinolin-3-one

C25H26N4O2 — CID 98246244

IUPAC2-(4-ethylphenyl)-8-[(3R)-3-methylpiperidine-1-carbonyl]-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCCc1ccc(-n2[nH]c3c(cnc4ccc(C(=O)N5CCC[C@@H](C)C5)cc43)c2=O)cc1
InChIInChI=1S/C25H26N4O2/c1-3-17-6-9-19(10-7-17)29-25(31)21-14-26-22-11-8-18(13-20(22)23(21)27-29)24(30)28-12-4-5-16(2)15-28/h6-11,13-14,16,27H,3-5,12,15H2,1-2H3/t16-/m1/s1
InChIKeyRLSQXXVLBYSXSS-MRXNPFEDSA-N
MW414.51 g/mol
LogP4.30
Rot. Bonds3

About 2-(4-ethylphenyl)-8-[(3R)-3-methylpiperidine-1-carbonyl]-1H-pyrazolo[4,3-c]quinolin-3-one

2-(4-ethylphenyl)-8-[(3R)-3-methylpiperidine-1-carbonyl]-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 98246244) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-8-[(3R)-3-methylpiperidine-1-carbonyl]-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name2-(4-ethylphenyl)-8-[(3R)-3-methylpiperidine-1-carbonyl]-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID98246244
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name2-(4-ethylphenyl)-8-[(3R)-3-methylpiperidine-1-carbonyl]-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCCc1ccc(-n2[nH]c3c(cnc4ccc(C(=O)N5CCC[C@@H](C)C5)cc43)c2=O)cc1
InChIInChI=1S/C25H26N4O2/c1-3-17-6-9-19(10-7-17)29-25(31)21-14-26-22-11-8-18(13-20(22)23(21)27-29)24(30)28-12-4-5-16(2)15-28/h6-11,13-14,16,27H,3-5,12,15H2,1-2H3/t16-/m1/s1
InChIKeyRLSQXXVLBYSXSS-MRXNPFEDSA-N
XLogP4.30
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-8-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1H-pyrazolo[4,3-c]quinolin-3-one
CID 98246252
2-(3,4-dimethylphenyl)-8-(pyrrolidine-1-carbonyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 53132527
2-(4-chlorophenyl)-8-(2-ethylpiperidine-1-carbonyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 53132542
8-(2-ethylpiperidine-1-carbonyl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 53132467
(2-amino-6-ethylquinazolin-4-yl)-(3-methylpiperidin-1-yl)methanone
CID 25160767
[4-(chloromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone
CID 43156245
(4-hydroxy-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 103951613
(7-fluoroquinolin-3-yl)-(3-methylpiperidin-1-yl)methanone
CID 110489762
[3-(3-methylpiperidine-1-carbonyl)phenyl]-piperidin-1-ylmethanone
CID 109052035
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
(1-ethylbenzotriazol-5-yl)-(3-methylpiperidin-1-yl)methanone
CID 18105296
(4-ethoxyphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 669383

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-8-[(3R)-3-methylpiperidine-1-carbonyl]-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 2-(4-ethylphenyl)-8-[(3R)-3-methylpiperidine-1-carbonyl]-1H-pyrazolo[4,3-c]quinolin-3-one (CID 98246244) is 2-(4-ethylphenyl)-8-[(3R)-3-methylpiperidine-1-carbonyl]-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 2-(4-ethylphenyl)-8-[(3R)-3-methylpiperidine-1-carbonyl]-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 2-(4-ethylphenyl)-8-[(3R)-3-methylpiperidine-1-carbonyl]-1H-pyrazolo[4,3-c]quinolin-3-one is CCc1ccc(-n2[nH]c3c(cnc4ccc(C(=O)N5CCC[C@@H](C)C5)cc43)c2=O)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-8-[(3R)-3-methylpiperidine-1-carbonyl]-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is RLSQXXVLBYSXSS-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-3-17-6-9-19(10-7-17)29-25(31)21-14-26-22-11-8-18(13-20(22)23(21)27-29)24(30)28-12-4-5-16(2)15-28/h6-11,13-14,16,27H,3-5,12,15H2,1-2H3/t16-/m1/s1.
What are the key properties of 2-(4-ethylphenyl)-8-[(3R)-3-methylpiperidine-1-carbonyl]-1H-pyrazolo[4,3-c]quinolin-3-one?
2-(4-ethylphenyl)-8-[(3R)-3-methylpiperidine-1-carbonyl]-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 414.51 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-8-[(3R)-3-methylpiperidine-1-carbonyl]-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 98246244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).