3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl)pyran-4-one

C22H22N2O5 — CID 71826486

IUPAC3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl)pyran-4-one
SMILESCc1cc(=O)c(O)c(C(CC(=O)N2CCOCC2)c2ccc3ncccc3c2)o1
InChIInChI=1S/C22H22N2O5/c1-14-11-19(25)21(27)22(29-14)17(13-20(26)24-7-9-28-10-8-24)15-4-5-18-16(12-15)3-2-6-23-18/h2-6,11-12,17,27H,7-10,13H2,1H3
InChIKeyMQAVSPHISXZPLD-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.58
Rot. Bonds4

About 3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl)pyran-4-one

3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl)pyran-4-one (PubChem CID 71826486) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is 3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl)pyran-4-one.

Molecular Properties

Compound Name3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl)pyran-4-one
PubChem CID71826486
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC Name3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl)pyran-4-one
SMILESCc1cc(=O)c(O)c(C(CC(=O)N2CCOCC2)c2ccc3ncccc3c2)o1
InChIInChI=1S/C22H22N2O5/c1-14-11-19(25)21(27)22(29-14)17(13-20(26)24-7-9-28-10-8-24)15-4-5-18-16(12-15)3-2-6-23-18/h2-6,11-12,17,27H,7-10,13H2,1H3
InChIKeyMQAVSPHISXZPLD-UHFFFAOYSA-N
XLogP2.58
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-2-{4-[(6-methyl-4-quinolinyl)carbonyl]-2-morpholinyl}ethanamine
CID 45228735
1-[4-[[(2R,5S)-5-(quinolin-6-ylmethyl)oxolan-2-yl]methyl]piperazin-1-yl]ethanone
CID 56899946
[(2R)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-quinolin-6-ylmethanone
CID 26412428
[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-quinolin-6-ylmethanone
CID 26412431
6-{[2-(3-Fluorobenzyl)-4-morpholinyl]carbonyl}quinoline
CID 45252588
[4-[(4-Fluorophenyl)methyl]oxan-4-yl]-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 110150266
[4-[(4-fluorophenyl)methyl]oxan-4-yl]-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 129569135
[4-[(4-fluorophenyl)methyl]oxan-4-yl]-[(3S)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 129569136
[4-[(4-Fluorophenyl)methyl]oxan-4-yl]-[3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 132772717
6-[(1-{4-[(2-Fluorophenyl)methyl]oxane-4-carbonyl}piperidin-3-yl)methyl]quinoline
CID 155984487
[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]-quinolin-5-ylmethanone
CID 92445251
[3-Hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 168451965

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl)pyran-4-one?
The IUPAC name of 3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl)pyran-4-one (CID 71826486) is 3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl)pyran-4-one.
What is the SMILES notation for 3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl)pyran-4-one?
The canonical SMILES for 3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl)pyran-4-one is Cc1cc(=O)c(O)c(C(CC(=O)N2CCOCC2)c2ccc3ncccc3c2)o1.
What is the InChIKey of 3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl)pyran-4-one?
The InChIKey is MQAVSPHISXZPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-14-11-19(25)21(27)22(29-14)17(13-20(26)24-7-9-28-10-8-24)15-4-5-18-16(12-15)3-2-6-23-18/h2-6,11-12,17,27H,7-10,13H2,1H3.
What are the key properties of 3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl)pyran-4-one?
3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl)pyran-4-one has a molecular weight of 394.43 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl)pyran-4-one is sourced from PubChem (CID 71826486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).