(E)-1-(5-methoxy-2,2-dimethylchromen-8-yl)-3-quinolin-2-ylprop-2-en-1-one

C24H21NO3 — CID 66573597

IUPAC(E)-1-(5-methoxy-2,2-dimethylchromen-8-yl)-3-quinolin-2-ylprop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C/c2ccc3ccccc3n2)c2c1C=CC(C)(C)O2
InChIInChI=1S/C24H21NO3/c1-24(2)15-14-19-22(27-3)13-11-18(23(19)28-24)21(26)12-10-17-9-8-16-6-4-5-7-20(16)25-17/h4-15H,1-3H3/b12-10+
InChIKeyHZZFTJIMQODQCN-ZRDIBKRKSA-N
MW371.44 g/mol
LogP5.32
Rot. Bonds4

About (E)-1-(5-methoxy-2,2-dimethylchromen-8-yl)-3-quinolin-2-ylprop-2-en-1-one

(E)-1-(5-methoxy-2,2-dimethylchromen-8-yl)-3-quinolin-2-ylprop-2-en-1-one (PubChem CID 66573597) has the molecular formula C24H21NO3 and a molecular weight of 371.44 g/mol. Its IUPAC name is (E)-1-(5-methoxy-2,2-dimethylchromen-8-yl)-3-quinolin-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(5-methoxy-2,2-dimethylchromen-8-yl)-3-quinolin-2-ylprop-2-en-1-one
PubChem CID66573597
Molecular FormulaC24H21NO3
Molecular Weight371.44 g/mol
Exact Mass371.15
IUPAC Name(E)-1-(5-methoxy-2,2-dimethylchromen-8-yl)-3-quinolin-2-ylprop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C/c2ccc3ccccc3n2)c2c1C=CC(C)(C)O2
InChIInChI=1S/C24H21NO3/c1-24(2)15-14-19-22(27-3)13-11-18(23(19)28-24)21(26)12-10-17-9-8-16-6-4-5-7-20(16)25-17/h4-15H,1-3H3/b12-10+
InChIKeyHZZFTJIMQODQCN-ZRDIBKRKSA-N
XLogP5.32
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 55.32
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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Frequently Asked Questions

What is the IUPAC name of (E)-1-(5-methoxy-2,2-dimethylchromen-8-yl)-3-quinolin-2-ylprop-2-en-1-one?
The IUPAC name of (E)-1-(5-methoxy-2,2-dimethylchromen-8-yl)-3-quinolin-2-ylprop-2-en-1-one (CID 66573597) is (E)-1-(5-methoxy-2,2-dimethylchromen-8-yl)-3-quinolin-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(5-methoxy-2,2-dimethylchromen-8-yl)-3-quinolin-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-(5-methoxy-2,2-dimethylchromen-8-yl)-3-quinolin-2-ylprop-2-en-1-one is COc1ccc(C(=O)/C=C/c2ccc3ccccc3n2)c2c1C=CC(C)(C)O2.
What is the InChIKey of (E)-1-(5-methoxy-2,2-dimethylchromen-8-yl)-3-quinolin-2-ylprop-2-en-1-one?
The InChIKey is HZZFTJIMQODQCN-ZRDIBKRKSA-N. The full InChI is InChI=1S/C24H21NO3/c1-24(2)15-14-19-22(27-3)13-11-18(23(19)28-24)21(26)12-10-17-9-8-16-6-4-5-7-20(16)25-17/h4-15H,1-3H3/b12-10+.
What are the key properties of (E)-1-(5-methoxy-2,2-dimethylchromen-8-yl)-3-quinolin-2-ylprop-2-en-1-one?
(E)-1-(5-methoxy-2,2-dimethylchromen-8-yl)-3-quinolin-2-ylprop-2-en-1-one has a molecular weight of 371.44 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(5-methoxy-2,2-dimethylchromen-8-yl)-3-quinolin-2-ylprop-2-en-1-one is sourced from PubChem (CID 66573597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).