1-ethyl-6-(1-methyl-5-phenylpyrazol-4-yl)-4-morpholin-4-ylquinolin-2-one

C25H26N4O2 — CID 134537260

IUPAC1-ethyl-6-(1-methyl-5-phenylpyrazol-4-yl)-4-morpholin-4-ylquinolin-2-one
SMILESCCn1c(=O)cc(N2CCOCC2)c2cc(-c3cnn(C)c3-c3ccccc3)ccc21
InChIInChI=1S/C25H26N4O2/c1-3-29-22-10-9-19(21-17-26-27(2)25(21)18-7-5-4-6-8-18)15-20(22)23(16-24(29)30)28-11-13-31-14-12-28/h4-10,15-17H,3,11-14H2,1-2H3
InChIKeySRFHAHBBEBZMBA-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.93
Rot. Bonds4

About 1-ethyl-6-(1-methyl-5-phenylpyrazol-4-yl)-4-morpholin-4-ylquinolin-2-one

1-ethyl-6-(1-methyl-5-phenylpyrazol-4-yl)-4-morpholin-4-ylquinolin-2-one (PubChem CID 134537260) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 1-ethyl-6-(1-methyl-5-phenylpyrazol-4-yl)-4-morpholin-4-ylquinolin-2-one.

Molecular Properties

Compound Name1-ethyl-6-(1-methyl-5-phenylpyrazol-4-yl)-4-morpholin-4-ylquinolin-2-one
PubChem CID134537260
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name1-ethyl-6-(1-methyl-5-phenylpyrazol-4-yl)-4-morpholin-4-ylquinolin-2-one
SMILESCCn1c(=O)cc(N2CCOCC2)c2cc(-c3cnn(C)c3-c3ccccc3)ccc21
InChIInChI=1S/C25H26N4O2/c1-3-29-22-10-9-19(21-17-26-27(2)25(21)18-7-5-4-6-8-18)15-20(22)23(16-24(29)30)28-11-13-31-14-12-28/h4-10,15-17H,3,11-14H2,1-2H3
InChIKeySRFHAHBBEBZMBA-UHFFFAOYSA-N
XLogP3.93
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-(1-methyl-5-phenylpyrazol-4-yl)-4-morpholin-4-ylquinolin-2-one?
The IUPAC name of 1-ethyl-6-(1-methyl-5-phenylpyrazol-4-yl)-4-morpholin-4-ylquinolin-2-one (CID 134537260) is 1-ethyl-6-(1-methyl-5-phenylpyrazol-4-yl)-4-morpholin-4-ylquinolin-2-one.
What is the SMILES notation for 1-ethyl-6-(1-methyl-5-phenylpyrazol-4-yl)-4-morpholin-4-ylquinolin-2-one?
The canonical SMILES for 1-ethyl-6-(1-methyl-5-phenylpyrazol-4-yl)-4-morpholin-4-ylquinolin-2-one is CCn1c(=O)cc(N2CCOCC2)c2cc(-c3cnn(C)c3-c3ccccc3)ccc21.
What is the InChIKey of 1-ethyl-6-(1-methyl-5-phenylpyrazol-4-yl)-4-morpholin-4-ylquinolin-2-one?
The InChIKey is SRFHAHBBEBZMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-3-29-22-10-9-19(21-17-26-27(2)25(21)18-7-5-4-6-8-18)15-20(22)23(16-24(29)30)28-11-13-31-14-12-28/h4-10,15-17H,3,11-14H2,1-2H3.
What are the key properties of 1-ethyl-6-(1-methyl-5-phenylpyrazol-4-yl)-4-morpholin-4-ylquinolin-2-one?
1-ethyl-6-(1-methyl-5-phenylpyrazol-4-yl)-4-morpholin-4-ylquinolin-2-one has a molecular weight of 414.51 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-(1-methyl-5-phenylpyrazol-4-yl)-4-morpholin-4-ylquinolin-2-one is sourced from PubChem (CID 134537260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).