3-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-1H-quinolin-4-one

C21H22N2O2 — CID 67617220

IUPAC3-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-1H-quinolin-4-one
SMILESCc1c(-c2ccc(CN3CCOCC3)cc2)[nH]c2ccccc2c1=O
InChIInChI=1S/C21H22N2O2/c1-15-20(22-19-5-3-2-4-18(19)21(15)24)17-8-6-16(7-9-17)14-23-10-12-25-13-11-23/h2-9H,10-14H2,1H3,(H,22,24)
InChIKeyLXYHVLZQDJRQAM-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.34
Rot. Bonds3

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

3-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-1H-quinolin-4-one (PubChem CID 67617220) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name3-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-1H-quinolin-4-one
PubChem CID67617220
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name3-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-1H-quinolin-4-one
SMILESCc1c(-c2ccc(CN3CCOCC3)cc2)[nH]c2ccccc2c1=O
InChIInChI=1S/C21H22N2O2/c1-15-20(22-19-5-3-2-4-18(19)21(15)24)17-8-6-16(7-9-17)14-23-10-12-25-13-11-23/h2-9H,10-14H2,1H3,(H,22,24)
InChIKeyLXYHVLZQDJRQAM-UHFFFAOYSA-N
XLogP3.34
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-1H-quinolin-4-one?
The IUPAC name of 3-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-1H-quinolin-4-one (CID 67617220) is 3-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-1H-quinolin-4-one.
What is the SMILES notation for 3-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-1H-quinolin-4-one?
The canonical SMILES for 3-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-1H-quinolin-4-one is Cc1c(-c2ccc(CN3CCOCC3)cc2)[nH]c2ccccc2c1=O.
What is the InChIKey of 3-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-1H-quinolin-4-one?
The InChIKey is LXYHVLZQDJRQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-15-20(22-19-5-3-2-4-18(19)21(15)24)17-8-6-16(7-9-17)14-23-10-12-25-13-11-23/h2-9H,10-14H2,1H3,(H,22,24).
What are the key properties of 3-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-1H-quinolin-4-one?
3-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-1H-quinolin-4-one has a molecular weight of 334.42 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-1H-quinolin-4-one is sourced from PubChem (CID 67617220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).