(E)-2-methyl-3-(1-methylindol-5-yl)-1-(2-methylquinolin-4-yl)prop-2-en-1-one

C23H20N2O — CID 155567247

IUPAC(E)-2-methyl-3-(1-methylindol-5-yl)-1-(2-methylquinolin-4-yl)prop-2-en-1-one
SMILESC/C(=C\c1ccc2c(ccn2C)c1)C(=O)c1cc(C)nc2ccccc12
InChIInChI=1S/C23H20N2O/c1-15(12-17-8-9-22-18(14-17)10-11-25(22)3)23(26)20-13-16(2)24-21-7-5-4-6-19(20)21/h4-14H,1-3H3/b15-12+
InChIKeyLODFJYZQBQGARJ-NTCAYCPXSA-N
MW340.43 g/mol
LogP5.32
Rot. Bonds3

About (E)-2-methyl-3-(1-methylindol-5-yl)-1-(2-methylquinolin-4-yl)prop-2-en-1-one

(E)-2-methyl-3-(1-methylindol-5-yl)-1-(2-methylquinolin-4-yl)prop-2-en-1-one (PubChem CID 155567247) has the molecular formula C23H20N2O and a molecular weight of 340.43 g/mol. Its IUPAC name is (E)-2-methyl-3-(1-methylindol-5-yl)-1-(2-methylquinolin-4-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-2-methyl-3-(1-methylindol-5-yl)-1-(2-methylquinolin-4-yl)prop-2-en-1-one
PubChem CID155567247
Molecular FormulaC23H20N2O
Molecular Weight340.43 g/mol
Exact Mass340.16
IUPAC Name(E)-2-methyl-3-(1-methylindol-5-yl)-1-(2-methylquinolin-4-yl)prop-2-en-1-one
SMILESC/C(=C\c1ccc2c(ccn2C)c1)C(=O)c1cc(C)nc2ccccc12
InChIInChI=1S/C23H20N2O/c1-15(12-17-8-9-22-18(14-17)10-11-25(22)3)23(26)20-13-16(2)24-21-7-5-4-6-19(20)21/h4-14H,1-3H3/b15-12+
InChIKeyLODFJYZQBQGARJ-NTCAYCPXSA-N
XLogP5.32
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.43
LogP ≤ 55.32
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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Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-3-(1-methylindol-5-yl)-1-(2-methylquinolin-4-yl)prop-2-en-1-one?
The IUPAC name of (E)-2-methyl-3-(1-methylindol-5-yl)-1-(2-methylquinolin-4-yl)prop-2-en-1-one (CID 155567247) is (E)-2-methyl-3-(1-methylindol-5-yl)-1-(2-methylquinolin-4-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-2-methyl-3-(1-methylindol-5-yl)-1-(2-methylquinolin-4-yl)prop-2-en-1-one?
The canonical SMILES for (E)-2-methyl-3-(1-methylindol-5-yl)-1-(2-methylquinolin-4-yl)prop-2-en-1-one is C/C(=C\c1ccc2c(ccn2C)c1)C(=O)c1cc(C)nc2ccccc12.
What is the InChIKey of (E)-2-methyl-3-(1-methylindol-5-yl)-1-(2-methylquinolin-4-yl)prop-2-en-1-one?
The InChIKey is LODFJYZQBQGARJ-NTCAYCPXSA-N. The full InChI is InChI=1S/C23H20N2O/c1-15(12-17-8-9-22-18(14-17)10-11-25(22)3)23(26)20-13-16(2)24-21-7-5-4-6-19(20)21/h4-14H,1-3H3/b15-12+.
What are the key properties of (E)-2-methyl-3-(1-methylindol-5-yl)-1-(2-methylquinolin-4-yl)prop-2-en-1-one?
(E)-2-methyl-3-(1-methylindol-5-yl)-1-(2-methylquinolin-4-yl)prop-2-en-1-one has a molecular weight of 340.43 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-3-(1-methylindol-5-yl)-1-(2-methylquinolin-4-yl)prop-2-en-1-one is sourced from PubChem (CID 155567247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).