7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-methylidene-1-[(2-methylsulfonylphenyl)methyl]-[1,3]oxazolo[5,4-c]quinoline

C25H23N3O5S — CID 144719025

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-methylidene-1-[(2-methylsulfonylphenyl)methyl]-[1,3]oxazolo[5,4-c]quinoline
SMILESC=C1Oc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2N1Cc1ccccc1S(C)(=O)=O
InChIInChI=1S/C25H23N3O5S/c1-14-24(15(2)33-27-14)19-10-20-18(11-21(19)31-4)25-22(12-26-20)32-16(3)28(25)13-17-8-6-7-9-23(17)34(5,29)30/h6-12H,3,13H2,1-2,4-5H3
InChIKeyRHLHWAOSECCHLH-UHFFFAOYSA-N
MW477.54 g/mol
LogP4.79
Rot. Bonds5

About 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-methylidene-1-[(2-methylsulfonylphenyl)methyl]-[1,3]oxazolo[5,4-c]quinoline

7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-methylidene-1-[(2-methylsulfonylphenyl)methyl]-[1,3]oxazolo[5,4-c]quinoline (PubChem CID 144719025) has the molecular formula C25H23N3O5S and a molecular weight of 477.54 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-methylidene-1-[(2-methylsulfonylphenyl)methyl]-[1,3]oxazolo[5,4-c]quinoline.

Molecular Properties

Compound Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-methylidene-1-[(2-methylsulfonylphenyl)methyl]-[1,3]oxazolo[5,4-c]quinoline
PubChem CID144719025
Molecular FormulaC25H23N3O5S
Molecular Weight477.54 g/mol
Exact Mass477.14
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-methylidene-1-[(2-methylsulfonylphenyl)methyl]-[1,3]oxazolo[5,4-c]quinoline
SMILESC=C1Oc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2N1Cc1ccccc1S(C)(=O)=O
InChIInChI=1S/C25H23N3O5S/c1-14-24(15(2)33-27-14)19-10-20-18(11-21(19)31-4)25-22(12-26-20)32-16(3)28(25)13-17-8-6-7-9-23(17)34(5,29)30/h6-12H,3,13H2,1-2,4-5H3
InChIKeyRHLHWAOSECCHLH-UHFFFAOYSA-N
XLogP4.79
TPSA94.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(2-methylsulfonylphenyl)methyl]-[1,3]oxazolo[5,4-c]quinolin-2-one
CID 118863733
4-N-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3,4-diamine
CID 144820395
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]-3H-[1,2,5]thiadiazolo[3,4-c]quinoline 2,2-dioxide
CID 122705108
4-[8-methoxy-1-(pyridin-2-ylmethyl)triazolo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
CID 52932859
[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(2-methoxyethyl)imidazo[4,5-c]quinolin-2-yl]-pyridin-3-ylmethanone
CID 86295276
4-(benzylamino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3-carboxamide
CID 70691698
[7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-hydroxyethyl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]-pyridin-3-ylmethanone
CID 86298324
[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinolin-2-yl]-phenylmethanone
CID 86295487
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(pyridin-3-ylmethyl)-[1,3]oxazolo[5,4-c]quinolin-2-one
CID 86302790
1-[(2,4-dimethoxyphenyl)methyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one
CID 70664326
3-(1-aminoethenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinolin-4-amine
CID 89426764
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(1-pyridin-2-ylethyl)-3H-imidazo[4,5-c]quinolin-2-one
CID 52934274

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-methylidene-1-[(2-methylsulfonylphenyl)methyl]-[1,3]oxazolo[5,4-c]quinoline?
The IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-methylidene-1-[(2-methylsulfonylphenyl)methyl]-[1,3]oxazolo[5,4-c]quinoline (CID 144719025) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-methylidene-1-[(2-methylsulfonylphenyl)methyl]-[1,3]oxazolo[5,4-c]quinoline.
What is the SMILES notation for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-methylidene-1-[(2-methylsulfonylphenyl)methyl]-[1,3]oxazolo[5,4-c]quinoline?
The canonical SMILES for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-methylidene-1-[(2-methylsulfonylphenyl)methyl]-[1,3]oxazolo[5,4-c]quinoline is C=C1Oc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2N1Cc1ccccc1S(C)(=O)=O.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-methylidene-1-[(2-methylsulfonylphenyl)methyl]-[1,3]oxazolo[5,4-c]quinoline?
The InChIKey is RHLHWAOSECCHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5S/c1-14-24(15(2)33-27-14)19-10-20-18(11-21(19)31-4)25-22(12-26-20)32-16(3)28(25)13-17-8-6-7-9-23(17)34(5,29)30/h6-12H,3,13H2,1-2,4-5H3.
What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-methylidene-1-[(2-methylsulfonylphenyl)methyl]-[1,3]oxazolo[5,4-c]quinoline?
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-methylidene-1-[(2-methylsulfonylphenyl)methyl]-[1,3]oxazolo[5,4-c]quinoline has a molecular weight of 477.54 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-methylidene-1-[(2-methylsulfonylphenyl)methyl]-[1,3]oxazolo[5,4-c]quinoline is sourced from PubChem (CID 144719025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).