(E)-3-(4-methoxyphenyl)-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)prop-2-en-1-one

C23H25NO3 — CID 1106522

IUPAC(E)-3-(4-methoxyphenyl)-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)prop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)N2c3ccc(OC)cc3C(C)=CC2(C)C)cc1
InChIInChI=1S/C23H25NO3/c1-16-15-23(2,3)24(21-12-11-19(27-5)14-20(16)21)22(25)13-8-17-6-9-18(26-4)10-7-17/h6-15H,1-5H3/b13-8+
InChIKeyCEBFWURDCICIOR-MDWZMJQESA-N
MW363.46 g/mol
LogP4.95
Rot. Bonds4

About (E)-3-(4-methoxyphenyl)-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)prop-2-en-1-one

(E)-3-(4-methoxyphenyl)-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)prop-2-en-1-one (PubChem CID 1106522) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)prop-2-en-1-one
PubChem CID1106522
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name(E)-3-(4-methoxyphenyl)-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)prop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)N2c3ccc(OC)cc3C(C)=CC2(C)C)cc1
InChIInChI=1S/C23H25NO3/c1-16-15-23(2,3)24(21-12-11-19(27-5)14-20(16)21)22(25)13-8-17-6-9-18(26-4)10-7-17/h6-15H,1-5H3/b13-8+
InChIKeyCEBFWURDCICIOR-MDWZMJQESA-N
XLogP4.95
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]-2,2,4-trimethylquinolin-6-yl] 3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 3896981
[2,2,4-trimethyl-1-[(E)-3-phenylprop-2-enoyl]quinolin-6-yl] (Z)-3-phenylprop-2-enoate
CID 92971877
(2R)-2-chloro-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-phenylethanone
CID 7299544
(E)-3-(3,4-dimethoxyphenyl)-1-[7-[(dimethylamino)methyl]-6-hydroxy-2,2,4-trimethylquinolin-1-yl]prop-2-en-1-one
CID 66492640
(E)-3-(4-methoxyphenyl)-1-[(2R,5R)-4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one
CID 1009678
6-ethoxy-2,2,4-trimethylquinoline-1-carbonyl chloride
CID 20558605
(3,4-dimethoxyphenyl)-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)methanone
CID 17168805
(E)-3-(4-methoxyphenyl)-1-[2,2,4-trimethyl-4-(4-methylphenyl)-3H-quinolin-1-yl]prop-2-en-1-one
CID 5340752
tetramethyl 6'-[3-(4-methoxyphenyl)prop-2-enoyl]-5',5',9'-trimethylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
CID 3109784
CID 59090938
CID 59090938
(E)-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 773630
(E)-1-[(4R)-4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 7122740

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxyphenyl)-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(4-methoxyphenyl)-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)prop-2-en-1-one (CID 1106522) is (E)-3-(4-methoxyphenyl)-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)prop-2-en-1-one is COc1ccc(/C=C/C(=O)N2c3ccc(OC)cc3C(C)=CC2(C)C)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)prop-2-en-1-one?
The InChIKey is CEBFWURDCICIOR-MDWZMJQESA-N. The full InChI is InChI=1S/C23H25NO3/c1-16-15-23(2,3)24(21-12-11-19(27-5)14-20(16)21)22(25)13-8-17-6-9-18(26-4)10-7-17/h6-15H,1-5H3/b13-8+.
What are the key properties of (E)-3-(4-methoxyphenyl)-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)prop-2-en-1-one?
(E)-3-(4-methoxyphenyl)-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)prop-2-en-1-one has a molecular weight of 363.46 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)prop-2-en-1-one is sourced from PubChem (CID 1106522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).