[6-(2-methoxyphenyl)-1,2,2,4-tetramethylquinolin-5-yl]methyl prop-2-enoate

C24H27NO3 — CID 58026791

IUPAC[6-(2-methoxyphenyl)-1,2,2,4-tetramethylquinolin-5-yl]methyl prop-2-enoate
SMILESC=CC(=O)OCc1c(-c2ccccc2OC)ccc2c1C(C)=CC(C)(C)N2C
InChIInChI=1S/C24H27NO3/c1-7-22(26)28-15-19-17(18-10-8-9-11-21(18)27-6)12-13-20-23(19)16(2)14-24(3,4)25(20)5/h7-14H,1,15H2,2-6H3
InChIKeyCUBSHISKASDADR-UHFFFAOYSA-N
MW377.48 g/mol
LogP5.22
Rot. Bonds5

About [6-(2-methoxyphenyl)-1,2,2,4-tetramethylquinolin-5-yl]methyl prop-2-enoate

[6-(2-methoxyphenyl)-1,2,2,4-tetramethylquinolin-5-yl]methyl prop-2-enoate (PubChem CID 58026791) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is [6-(2-methoxyphenyl)-1,2,2,4-tetramethylquinolin-5-yl]methyl prop-2-enoate.

Molecular Properties

Compound Name[6-(2-methoxyphenyl)-1,2,2,4-tetramethylquinolin-5-yl]methyl prop-2-enoate
PubChem CID58026791
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name[6-(2-methoxyphenyl)-1,2,2,4-tetramethylquinolin-5-yl]methyl prop-2-enoate
SMILESC=CC(=O)OCc1c(-c2ccccc2OC)ccc2c1C(C)=CC(C)(C)N2C
InChIInChI=1S/C24H27NO3/c1-7-22(26)28-15-19-17(18-10-8-9-11-21(18)27-6)12-13-20-23(19)16(2)14-24(3,4)25(20)5/h7-14H,1,15H2,2-6H3
InChIKeyCUBSHISKASDADR-UHFFFAOYSA-N
XLogP5.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.48
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[6-(2-methoxyphenyl)-2,2,4-trimethyl-5-(phenylsulfanylmethyl)quinolin-1-yl]prop-2-en-1-one
CID 58026828
[1-benzoyl-6-(2-ethoxyphenyl)-2,2,4-trimethylquinolin-5-yl]methyl benzoate
CID 58026801
[6-(2-methoxyphenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methyl thiophene-2-carboxylate
CID 16659992
[6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methyl 3-phenylprop-2-enoate
CID 67390985
[1-benzyl-2,2,4-trimethyl-6-[2-(phenoxymethyl)phenyl]quinolin-5-yl]methyl benzoate
CID 58485483
anthracene-9,10-dione;ethyl prop-2-enoate
CID 70637632
methyl 2-(8-methoxy-2,2,4-trimethylquinolin-1-yl)pentanoate
CID 132650701
(8-methoxy-2,2,4-trimethylquinolin-1-yl)-(2-methylphenyl)methanone
CID 16584718
[6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methyl 2-(2-hydroxyphenyl)acetate
CID 58027145
aniline;1,2,2,4-tetramethylquinoline
CID 174979716
1-[2-(4-hydroxyphenyl)ethyl]-4-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 3457800
methyl 2-[(5Z)-2,4-dioxo-5-[(1,2,2,4-tetramethylquinolin-6-yl)methylidene]-1,3-thiazolidin-3-yl]acetate
CID 50864382

Frequently Asked Questions

What is the IUPAC name of [6-(2-methoxyphenyl)-1,2,2,4-tetramethylquinolin-5-yl]methyl prop-2-enoate?
The IUPAC name of [6-(2-methoxyphenyl)-1,2,2,4-tetramethylquinolin-5-yl]methyl prop-2-enoate (CID 58026791) is [6-(2-methoxyphenyl)-1,2,2,4-tetramethylquinolin-5-yl]methyl prop-2-enoate.
What is the SMILES notation for [6-(2-methoxyphenyl)-1,2,2,4-tetramethylquinolin-5-yl]methyl prop-2-enoate?
The canonical SMILES for [6-(2-methoxyphenyl)-1,2,2,4-tetramethylquinolin-5-yl]methyl prop-2-enoate is C=CC(=O)OCc1c(-c2ccccc2OC)ccc2c1C(C)=CC(C)(C)N2C.
What is the InChIKey of [6-(2-methoxyphenyl)-1,2,2,4-tetramethylquinolin-5-yl]methyl prop-2-enoate?
The InChIKey is CUBSHISKASDADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-7-22(26)28-15-19-17(18-10-8-9-11-21(18)27-6)12-13-20-23(19)16(2)14-24(3,4)25(20)5/h7-14H,1,15H2,2-6H3.
What are the key properties of [6-(2-methoxyphenyl)-1,2,2,4-tetramethylquinolin-5-yl]methyl prop-2-enoate?
[6-(2-methoxyphenyl)-1,2,2,4-tetramethylquinolin-5-yl]methyl prop-2-enoate has a molecular weight of 377.48 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-methoxyphenyl)-1,2,2,4-tetramethylquinolin-5-yl]methyl prop-2-enoate is sourced from PubChem (CID 58026791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).