3-morpholin-4-yl-1-trityl-8H-pyrazolo[4,5-g]quinolin-7-one

C33H28N4O2 — CID 136984237

IUPAC3-morpholin-4-yl-1-trityl-8H-pyrazolo[4,5-g]quinolin-7-one
SMILESO=c1ccc2cc3c(N4CCOCC4)nn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3cc2[nH]1
InChIInChI=1S/C33H28N4O2/c38-31-17-16-24-22-28-30(23-29(24)34-31)37(35-32(28)36-18-20-39-21-19-36)33(25-10-4-1-5-11-25,26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-17,22-23H,18-21H2,(H,34,38)
InChIKeyBWDLDYAOSKSVPN-UHFFFAOYSA-N
MW512.61 g/mol
LogP5.55
Rot. Bonds5

About 3-morpholin-4-yl-1-trityl-8H-pyrazolo[4,5-g]quinolin-7-one

3-morpholin-4-yl-1-trityl-8H-pyrazolo[4,5-g]quinolin-7-one (PubChem CID 136984237) has the molecular formula C33H28N4O2 and a molecular weight of 512.61 g/mol. Its IUPAC name is 3-morpholin-4-yl-1-trityl-8H-pyrazolo[4,5-g]quinolin-7-one.

Molecular Properties

Compound Name3-morpholin-4-yl-1-trityl-8H-pyrazolo[4,5-g]quinolin-7-one
PubChem CID136984237
Molecular FormulaC33H28N4O2
Molecular Weight512.61 g/mol
Exact Mass512.22
IUPAC Name3-morpholin-4-yl-1-trityl-8H-pyrazolo[4,5-g]quinolin-7-one
SMILESO=c1ccc2cc3c(N4CCOCC4)nn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3cc2[nH]1
InChIInChI=1S/C33H28N4O2/c38-31-17-16-24-22-28-30(23-29(24)34-31)37(35-32(28)36-18-20-39-21-19-36)33(25-10-4-1-5-11-25,26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-17,22-23H,18-21H2,(H,34,38)
InChIKeyBWDLDYAOSKSVPN-UHFFFAOYSA-N
XLogP5.55
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.61
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-1-trityl-8H-pyrazolo[4,5-g]quinolin-7-one?
The IUPAC name of 3-morpholin-4-yl-1-trityl-8H-pyrazolo[4,5-g]quinolin-7-one (CID 136984237) is 3-morpholin-4-yl-1-trityl-8H-pyrazolo[4,5-g]quinolin-7-one.
What is the SMILES notation for 3-morpholin-4-yl-1-trityl-8H-pyrazolo[4,5-g]quinolin-7-one?
The canonical SMILES for 3-morpholin-4-yl-1-trityl-8H-pyrazolo[4,5-g]quinolin-7-one is O=c1ccc2cc3c(N4CCOCC4)nn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3cc2[nH]1.
What is the InChIKey of 3-morpholin-4-yl-1-trityl-8H-pyrazolo[4,5-g]quinolin-7-one?
The InChIKey is BWDLDYAOSKSVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28N4O2/c38-31-17-16-24-22-28-30(23-29(24)34-31)37(35-32(28)36-18-20-39-21-19-36)33(25-10-4-1-5-11-25,26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-17,22-23H,18-21H2,(H,34,38).
What are the key properties of 3-morpholin-4-yl-1-trityl-8H-pyrazolo[4,5-g]quinolin-7-one?
3-morpholin-4-yl-1-trityl-8H-pyrazolo[4,5-g]quinolin-7-one has a molecular weight of 512.61 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-1-trityl-8H-pyrazolo[4,5-g]quinolin-7-one is sourced from PubChem (CID 136984237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).