2-phenyl-5-(piperidine-1-carbonyl)-5a,9a-dihydropyrazolo[4,3-c]quinolin-3-one

C22H22N4O2 — CID 163710217

IUPAC2-phenyl-5-(piperidine-1-carbonyl)-5a,9a-dihydropyrazolo[4,3-c]quinolin-3-one
SMILESO=C1C2=CN(C(=O)N3CCCCC3)C3C=CC=CC3C2=NN1c1ccccc1
InChIInChI=1S/C22H22N4O2/c27-21-18-15-25(22(28)24-13-7-2-8-14-24)19-12-6-5-11-17(19)20(18)23-26(21)16-9-3-1-4-10-16/h1,3-6,9-12,15,17,19H,2,7-8,13-14H2
InChIKeyKIOCQMKEHORHQN-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.31
Rot. Bonds1

About 2-phenyl-5-(piperidine-1-carbonyl)-5a,9a-dihydropyrazolo[4,3-c]quinolin-3-one

2-phenyl-5-(piperidine-1-carbonyl)-5a,9a-dihydropyrazolo[4,3-c]quinolin-3-one (PubChem CID 163710217) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-phenyl-5-(piperidine-1-carbonyl)-5a,9a-dihydropyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name2-phenyl-5-(piperidine-1-carbonyl)-5a,9a-dihydropyrazolo[4,3-c]quinolin-3-one
PubChem CID163710217
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name2-phenyl-5-(piperidine-1-carbonyl)-5a,9a-dihydropyrazolo[4,3-c]quinolin-3-one
SMILESO=C1C2=CN(C(=O)N3CCCCC3)C3C=CC=CC3C2=NN1c1ccccc1
InChIInChI=1S/C22H22N4O2/c27-21-18-15-25(22(28)24-13-7-2-8-14-24)19-12-6-5-11-17(19)20(18)23-26(21)16-9-3-1-4-10-16/h1,3-6,9-12,15,17,19H,2,7-8,13-14H2
InChIKeyKIOCQMKEHORHQN-UHFFFAOYSA-N
XLogP3.31
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(piperidine-1-carbonyl)-5a,9a-dihydropyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 2-phenyl-5-(piperidine-1-carbonyl)-5a,9a-dihydropyrazolo[4,3-c]quinolin-3-one (CID 163710217) is 2-phenyl-5-(piperidine-1-carbonyl)-5a,9a-dihydropyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 2-phenyl-5-(piperidine-1-carbonyl)-5a,9a-dihydropyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 2-phenyl-5-(piperidine-1-carbonyl)-5a,9a-dihydropyrazolo[4,3-c]quinolin-3-one is O=C1C2=CN(C(=O)N3CCCCC3)C3C=CC=CC3C2=NN1c1ccccc1.
What is the InChIKey of 2-phenyl-5-(piperidine-1-carbonyl)-5a,9a-dihydropyrazolo[4,3-c]quinolin-3-one?
The InChIKey is KIOCQMKEHORHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c27-21-18-15-25(22(28)24-13-7-2-8-14-24)19-12-6-5-11-17(19)20(18)23-26(21)16-9-3-1-4-10-16/h1,3-6,9-12,15,17,19H,2,7-8,13-14H2.
What are the key properties of 2-phenyl-5-(piperidine-1-carbonyl)-5a,9a-dihydropyrazolo[4,3-c]quinolin-3-one?
2-phenyl-5-(piperidine-1-carbonyl)-5a,9a-dihydropyrazolo[4,3-c]quinolin-3-one has a molecular weight of 374.44 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(piperidine-1-carbonyl)-5a,9a-dihydropyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 163710217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).