2-phenyl-7-phenylmethoxy-1H-pyrazolo[4,3-c]quinolin-3-one

C23H17N3O2 — CID 10474129

IUPAC2-phenyl-7-phenylmethoxy-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESO=c1c2cnc3cc(OCc4ccccc4)ccc3c2[nH]n1-c1ccccc1
InChIInChI=1S/C23H17N3O2/c27-23-20-14-24-21-13-18(28-15-16-7-3-1-4-8-16)11-12-19(21)22(20)25-26(23)17-9-5-2-6-10-17/h1-14,25H,15H2
InChIKeyNMUDIPITESHDMI-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.45
Rot. Bonds4

About 2-phenyl-7-phenylmethoxy-1H-pyrazolo[4,3-c]quinolin-3-one

2-phenyl-7-phenylmethoxy-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 10474129) has the molecular formula C23H17N3O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-phenyl-7-phenylmethoxy-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name2-phenyl-7-phenylmethoxy-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID10474129
Molecular FormulaC23H17N3O2
Molecular Weight367.41 g/mol
Exact Mass367.13
IUPAC Name2-phenyl-7-phenylmethoxy-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESO=c1c2cnc3cc(OCc4ccccc4)ccc3c2[nH]n1-c1ccccc1
InChIInChI=1S/C23H17N3O2/c27-23-20-14-24-21-13-18(28-15-16-7-3-1-4-8-16)11-12-19(21)22(20)25-26(23)17-9-5-2-6-10-17/h1-14,25H,15H2
InChIKeyNMUDIPITESHDMI-UHFFFAOYSA-N
XLogP4.45
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.45
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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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-7-phenylmethoxy-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 2-phenyl-7-phenylmethoxy-1H-pyrazolo[4,3-c]quinolin-3-one (CID 10474129) is 2-phenyl-7-phenylmethoxy-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 2-phenyl-7-phenylmethoxy-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 2-phenyl-7-phenylmethoxy-1H-pyrazolo[4,3-c]quinolin-3-one is O=c1c2cnc3cc(OCc4ccccc4)ccc3c2[nH]n1-c1ccccc1.
What is the InChIKey of 2-phenyl-7-phenylmethoxy-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is NMUDIPITESHDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O2/c27-23-20-14-24-21-13-18(28-15-16-7-3-1-4-8-16)11-12-19(21)22(20)25-26(23)17-9-5-2-6-10-17/h1-14,25H,15H2.
What are the key properties of 2-phenyl-7-phenylmethoxy-1H-pyrazolo[4,3-c]quinolin-3-one?
2-phenyl-7-phenylmethoxy-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 367.41 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-7-phenylmethoxy-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 10474129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).