(E)-3-(4-methoxyphenyl)-1-(4-methylcinnolin-3-yl)prop-2-en-1-one

C19H16N2O2 — CID 46849993

IUPAC(E)-3-(4-methoxyphenyl)-1-(4-methylcinnolin-3-yl)prop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)c2nnc3ccccc3c2C)cc1
InChIInChI=1S/C19H16N2O2/c1-13-16-5-3-4-6-17(16)20-21-19(13)18(22)12-9-14-7-10-15(23-2)11-8-14/h3-12H,1-2H3/b12-9+
InChIKeyPLNDMEZRLQRWFW-FMIVXFBMSA-N
MW304.35 g/mol
LogP3.84
Rot. Bonds4

About (E)-3-(4-methoxyphenyl)-1-(4-methylcinnolin-3-yl)prop-2-en-1-one

(E)-3-(4-methoxyphenyl)-1-(4-methylcinnolin-3-yl)prop-2-en-1-one (PubChem CID 46849993) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-1-(4-methylcinnolin-3-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-1-(4-methylcinnolin-3-yl)prop-2-en-1-one
PubChem CID46849993
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name(E)-3-(4-methoxyphenyl)-1-(4-methylcinnolin-3-yl)prop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)c2nnc3ccccc3c2C)cc1
InChIInChI=1S/C19H16N2O2/c1-13-16-5-3-4-6-17(16)20-21-19(13)18(22)12-9-14-7-10-15(23-2)11-8-14/h3-12H,1-2H3/b12-9+
InChIKeyPLNDMEZRLQRWFW-FMIVXFBMSA-N
XLogP3.84
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.84
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

(E)-3-(4-methoxyphenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 75359470
(E)-3-(4-methoxyphenyl)-1-(1-methylbenzimidazol-2-yl)prop-2-en-1-one
CID 5469982
(E)-1-[1-(4-methoxyphenyl)-5-methyltriazol-4-yl]-3-phenylprop-2-en-1-one
CID 46198197
(E)-1-(4-fluoronaphthalen-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 25033985
(E)-1-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-methylquinolin-3-yl]-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 166593691
(E)-3-(4-methoxyphenyl)-1-(4-methyl-1,3-thiazol-5-yl)prop-2-en-1-one
CID 169042141
(E)-3-(4-methoxyphenyl)-1-(5-methyl-1-phenylpyrazol-4-yl)prop-2-en-1-one
CID 31247775
(E)-3-(4-methoxyphenyl)prop-2-enoyl chloride;toluene
CID 118117364
(E)-3-(4-methoxyphenyl)-1-[3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
CID 6153080
2-[2-(4-methoxyphenyl)ethenyl]-3-[4-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl]quinazolin-4-one
CID 71960265
[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] (Z)-3-(4-methoxyphenyl)prop-2-enoate
CID 51521387
(E)-3-(4-methoxyphenyl)-1-[5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-3-pyridinyl]prop-2-en-1-one
CID 10453539

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxyphenyl)-1-(4-methylcinnolin-3-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(4-methoxyphenyl)-1-(4-methylcinnolin-3-yl)prop-2-en-1-one (CID 46849993) is (E)-3-(4-methoxyphenyl)-1-(4-methylcinnolin-3-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-1-(4-methylcinnolin-3-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-1-(4-methylcinnolin-3-yl)prop-2-en-1-one is COc1ccc(/C=C/C(=O)c2nnc3ccccc3c2C)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-1-(4-methylcinnolin-3-yl)prop-2-en-1-one?
The InChIKey is PLNDMEZRLQRWFW-FMIVXFBMSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-13-16-5-3-4-6-17(16)20-21-19(13)18(22)12-9-14-7-10-15(23-2)11-8-14/h3-12H,1-2H3/b12-9+.
What are the key properties of (E)-3-(4-methoxyphenyl)-1-(4-methylcinnolin-3-yl)prop-2-en-1-one?
(E)-3-(4-methoxyphenyl)-1-(4-methylcinnolin-3-yl)prop-2-en-1-one has a molecular weight of 304.35 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)-1-(4-methylcinnolin-3-yl)prop-2-en-1-one is sourced from PubChem (CID 46849993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).