[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone

C23H24N2O4 — CID 46543036

IUPAC[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOc1ccc2c(c1)CCCN2C(=O)c1ccc(OCc2c(C)noc2C)cc1
InChIInChI=1S/C23H24N2O4/c1-15-21(16(2)29-24-15)14-28-19-8-6-17(7-9-19)23(26)25-12-4-5-18-13-20(27-3)10-11-22(18)25/h6-11,13H,4-5,12,14H2,1-3H3
InChIKeyGAZUUQHBGDYMBO-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.47
Rot. Bonds5

About [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone

[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 46543036) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID46543036
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOc1ccc2c(c1)CCCN2C(=O)c1ccc(OCc2c(C)noc2C)cc1
InChIInChI=1S/C23H24N2O4/c1-15-21(16(2)29-24-15)14-28-19-8-6-17(7-9-19)23(26)25-12-4-5-18-13-20(27-3)10-11-22(18)25/h6-11,13H,4-5,12,14H2,1-3H3
InChIKeyGAZUUQHBGDYMBO-UHFFFAOYSA-N
XLogP4.47
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone with MolForge

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Related Compounds

[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55872913
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 43035784
[4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 19445381
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 18122068
[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 39566022
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 42896770
1-(2,6-dimethylpiperidin-1-yl)-2-[4-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]ethanone
CID 42925515
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 29096991
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(3-methylphenyl)methanone
CID 17480877
(4-bromo-2,5-dimethylfuran-3-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 167968828
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone
CID 35743315
(3,5-dimethyl-1H-pyrazol-4-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 61258727

Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 46543036) is [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone is COc1ccc2c(c1)CCCN2C(=O)c1ccc(OCc2c(C)noc2C)cc1.
What is the InChIKey of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is GAZUUQHBGDYMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-15-21(16(2)29-24-15)14-28-19-8-6-17(7-9-19)23(26)25-12-4-5-18-13-20(27-3)10-11-22(18)25/h6-11,13H,4-5,12,14H2,1-3H3.
What are the key properties of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 392.46 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 46543036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).