3-methyl-2-[6-[3-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one

C27H27N3O3 — CID 70694183

IUPAC3-methyl-2-[6-[3-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one
SMILESCc1c(-c2ccc(-c3cccc(OCCN4CCOCC4)c3)nc2)[nH]c2ccccc2c1=O
InChIInChI=1S/C27H27N3O3/c1-19-26(29-25-8-3-2-7-23(25)27(19)31)21-9-10-24(28-18-21)20-5-4-6-22(17-20)33-16-13-30-11-14-32-15-12-30/h2-10,17-18H,11-16H2,1H3,(H,29,31)
InChIKeyCKUKGPZDTOUPRR-UHFFFAOYSA-N
MW441.53 g/mol
LogP4.28
Rot. Bonds6

About 3-methyl-2-[6-[3-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one

3-methyl-2-[6-[3-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one (PubChem CID 70694183) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is 3-methyl-2-[6-[3-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name3-methyl-2-[6-[3-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one
PubChem CID70694183
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC Name3-methyl-2-[6-[3-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one
SMILESCc1c(-c2ccc(-c3cccc(OCCN4CCOCC4)c3)nc2)[nH]c2ccccc2c1=O
InChIInChI=1S/C27H27N3O3/c1-19-26(29-25-8-3-2-7-23(25)27(19)31)21-9-10-24(28-18-21)20-5-4-6-22(17-20)33-16-13-30-11-14-32-15-12-30/h2-10,17-18H,11-16H2,1H3,(H,29,31)
InChIKeyCKUKGPZDTOUPRR-UHFFFAOYSA-N
XLogP4.28
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[6-[3-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one?
The IUPAC name of 3-methyl-2-[6-[3-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one (CID 70694183) is 3-methyl-2-[6-[3-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one.
What is the SMILES notation for 3-methyl-2-[6-[3-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one?
The canonical SMILES for 3-methyl-2-[6-[3-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one is Cc1c(-c2ccc(-c3cccc(OCCN4CCOCC4)c3)nc2)[nH]c2ccccc2c1=O.
What is the InChIKey of 3-methyl-2-[6-[3-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one?
The InChIKey is CKUKGPZDTOUPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3/c1-19-26(29-25-8-3-2-7-23(25)27(19)31)21-9-10-24(28-18-21)20-5-4-6-22(17-20)33-16-13-30-11-14-32-15-12-30/h2-10,17-18H,11-16H2,1H3,(H,29,31).
What are the key properties of 3-methyl-2-[6-[3-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one?
3-methyl-2-[6-[3-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one has a molecular weight of 441.53 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[6-[3-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one is sourced from PubChem (CID 70694183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).