3-methyl-2-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-1H-quinolin-4-one

C25H26N4O2 — CID 70689977

IUPAC3-methyl-2-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-1H-quinolin-4-one
SMILESCc1c(-c2ccc(-c3cnn(CCN4CCOCC4)c3)cc2)[nH]c2ccccc2c1=O
InChIInChI=1S/C25H26N4O2/c1-18-24(27-23-5-3-2-4-22(23)25(18)30)20-8-6-19(7-9-20)21-16-26-29(17-21)11-10-28-12-14-31-15-13-28/h2-9,16-17H,10-15H2,1H3,(H,27,30)
InChIKeyBPVFCGQLRYFYEO-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.70
Rot. Bonds5

About 3-methyl-2-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-1H-quinolin-4-one

3-methyl-2-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-1H-quinolin-4-one (PubChem CID 70689977) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 3-methyl-2-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name3-methyl-2-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-1H-quinolin-4-one
PubChem CID70689977
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name3-methyl-2-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-1H-quinolin-4-one
SMILESCc1c(-c2ccc(-c3cnn(CCN4CCOCC4)c3)cc2)[nH]c2ccccc2c1=O
InChIInChI=1S/C25H26N4O2/c1-18-24(27-23-5-3-2-4-22(23)25(18)30)20-8-6-19(7-9-20)21-16-26-29(17-21)11-10-28-12-14-31-15-13-28/h2-9,16-17H,10-15H2,1H3,(H,27,30)
InChIKeyBPVFCGQLRYFYEO-UHFFFAOYSA-N
XLogP3.70
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-1H-quinolin-4-one?
The IUPAC name of 3-methyl-2-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-1H-quinolin-4-one (CID 70689977) is 3-methyl-2-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-1H-quinolin-4-one.
What is the SMILES notation for 3-methyl-2-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-1H-quinolin-4-one?
The canonical SMILES for 3-methyl-2-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-1H-quinolin-4-one is Cc1c(-c2ccc(-c3cnn(CCN4CCOCC4)c3)cc2)[nH]c2ccccc2c1=O.
What is the InChIKey of 3-methyl-2-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-1H-quinolin-4-one?
The InChIKey is BPVFCGQLRYFYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-18-24(27-23-5-3-2-4-22(23)25(18)30)20-8-6-19(7-9-20)21-16-26-29(17-21)11-10-28-12-14-31-15-13-28/h2-9,16-17H,10-15H2,1H3,(H,27,30).
What are the key properties of 3-methyl-2-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-1H-quinolin-4-one?
3-methyl-2-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-1H-quinolin-4-one has a molecular weight of 414.51 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-1H-quinolin-4-one is sourced from PubChem (CID 70689977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).