(2E)-1-(4-methoxyphenyl)-2-(1-methylquinolin-2-ylidene)ethanone

C19H17NO2 — CID 23279599

IUPAC(2E)-1-(4-methoxyphenyl)-2-(1-methylquinolin-2-ylidene)ethanone
SMILESCOc1ccc(C(=O)/C=C2\C=Cc3ccccc3N2C)cc1
InChIInChI=1S/C19H17NO2/c1-20-16(10-7-14-5-3-4-6-18(14)20)13-19(21)15-8-11-17(22-2)12-9-15/h3-13H,1-2H3/b16-13+
InChIKeyDQIKBSGFEQINKM-DTQAZKPQSA-N
MW291.35 g/mol
LogP3.92
Rot. Bonds3

About (2E)-1-(4-methoxyphenyl)-2-(1-methylquinolin-2-ylidene)ethanone

(2E)-1-(4-methoxyphenyl)-2-(1-methylquinolin-2-ylidene)ethanone (PubChem CID 23279599) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is (2E)-1-(4-methoxyphenyl)-2-(1-methylquinolin-2-ylidene)ethanone.

Molecular Properties

Compound Name(2E)-1-(4-methoxyphenyl)-2-(1-methylquinolin-2-ylidene)ethanone
PubChem CID23279599
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name(2E)-1-(4-methoxyphenyl)-2-(1-methylquinolin-2-ylidene)ethanone
SMILESCOc1ccc(C(=O)/C=C2\C=Cc3ccccc3N2C)cc1
InChIInChI=1S/C19H17NO2/c1-20-16(10-7-14-5-3-4-6-18(14)20)13-19(21)15-8-11-17(22-2)12-9-15/h3-13H,1-2H3/b16-13+
InChIKeyDQIKBSGFEQINKM-DTQAZKPQSA-N
XLogP3.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.92
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

(2Z)-1-methyl-2-(2-methylprop-2-enylidene)quinoline
CID 144960539
2-(1-methylquinolin-2-ylidene)acetaldehyde
CID 4702150
2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-1-(4-methoxyphenyl)ethanone
CID 10682780
4-(4-methoxybenzoyl)-1-methyl-3H-quinoxalin-2-one
CID 110669554
2-(4-methoxybenzoyl)-1-methylquinolin-4-one
CID 15733027
dimethyl 1-(4-methoxybenzoyl)-1,3a-dihydropyrrolo[1,2-a]quinoline-2,3-dicarboxylate
CID 102361301
3,3-dibromo-1-(4-methoxyphenyl)prop-2-en-1-one
CID 135039822
3-chloro-1-(4-methoxyphenyl)prop-2-en-1-one
CID 27468
1-(4-methoxyphenyl)-2-(10-methyl-10H-anthracen-9-ylidene)ethanone
CID 59672036
(E)-3-(4-methoxyphenyl)-1-phenylpent-2-en-1-one
CID 135075979
(2E)-1-(4-methoxyphenyl)-2-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)ethanone
CID 5412567
phenyl 2-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-quinoline-1-carboxylate
CID 102276088

Frequently Asked Questions

What is the IUPAC name of (2E)-1-(4-methoxyphenyl)-2-(1-methylquinolin-2-ylidene)ethanone?
The IUPAC name of (2E)-1-(4-methoxyphenyl)-2-(1-methylquinolin-2-ylidene)ethanone (CID 23279599) is (2E)-1-(4-methoxyphenyl)-2-(1-methylquinolin-2-ylidene)ethanone.
What is the SMILES notation for (2E)-1-(4-methoxyphenyl)-2-(1-methylquinolin-2-ylidene)ethanone?
The canonical SMILES for (2E)-1-(4-methoxyphenyl)-2-(1-methylquinolin-2-ylidene)ethanone is COc1ccc(C(=O)/C=C2\C=Cc3ccccc3N2C)cc1.
What is the InChIKey of (2E)-1-(4-methoxyphenyl)-2-(1-methylquinolin-2-ylidene)ethanone?
The InChIKey is DQIKBSGFEQINKM-DTQAZKPQSA-N. The full InChI is InChI=1S/C19H17NO2/c1-20-16(10-7-14-5-3-4-6-18(14)20)13-19(21)15-8-11-17(22-2)12-9-15/h3-13H,1-2H3/b16-13+.
What are the key properties of (2E)-1-(4-methoxyphenyl)-2-(1-methylquinolin-2-ylidene)ethanone?
(2E)-1-(4-methoxyphenyl)-2-(1-methylquinolin-2-ylidene)ethanone has a molecular weight of 291.35 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-(4-methoxyphenyl)-2-(1-methylquinolin-2-ylidene)ethanone is sourced from PubChem (CID 23279599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).