(3,4-dimethoxyphenyl)-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)methanone

C23H27NO4 — CID 17168805

IUPAC(3,4-dimethoxyphenyl)-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)methanone
SMILESCCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C23H27NO4/c1-7-28-17-9-10-19-18(13-17)15(2)14-23(3,4)24(19)22(25)16-8-11-20(26-5)21(12-16)27-6/h8-14H,7H2,1-6H3
InChIKeyNUPDAJZSBLQINQ-UHFFFAOYSA-N
MW381.47 g/mol
LogP4.94
Rot. Bonds5

About (3,4-dimethoxyphenyl)-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)methanone

(3,4-dimethoxyphenyl)-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)methanone (PubChem CID 17168805) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)methanone
PubChem CID17168805
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Name(3,4-dimethoxyphenyl)-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)methanone
SMILESCCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C23H27NO4/c1-7-28-17-9-10-19-18(13-17)15(2)14-23(3,4)24(19)22(25)16-8-11-20(26-5)21(12-16)27-6/h8-14H,7H2,1-6H3
InChIKeyNUPDAJZSBLQINQ-UHFFFAOYSA-N
XLogP4.94
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethoxy-2,2,4-trimethylquinoline-1-carbonyl chloride
CID 20558605
6-ethoxy-1-(4-methoxyphenyl)-2,2,4-trimethylquinoline
CID 139670132
6-ethoxy-1-ethyl-2,2,4-trimethylquinoline
CID 86152390
1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-[(3-methoxyphenyl)methyl-methylamino]ethanone
CID 39895245
(1-benzoyl-2,2,4-trimethylquinolin-6-yl) benzoate
CID 1106529
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)ethanone
CID 24578421
[1-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]-2,2,4-trimethylquinolin-6-yl] 3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 3896981
[2-(ethoxycarbonylamino)-2-oxoethyl]-[2-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]-ethylazanium
CID 8905045
(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone
CID 14297393
1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 26496510
[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-(4-ethoxyphenyl)methanone
CID 108543772
1-[2-(7-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 649182

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)methanone (CID 17168805) is (3,4-dimethoxyphenyl)-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)methanone is CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of (3,4-dimethoxyphenyl)-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)methanone?
The InChIKey is NUPDAJZSBLQINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO4/c1-7-28-17-9-10-19-18(13-17)15(2)14-23(3,4)24(19)22(25)16-8-11-20(26-5)21(12-16)27-6/h8-14H,7H2,1-6H3.
What are the key properties of (3,4-dimethoxyphenyl)-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)methanone?
(3,4-dimethoxyphenyl)-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)methanone has a molecular weight of 381.47 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)methanone is sourced from PubChem (CID 17168805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).