phenyl 2-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-quinoline-1-carboxylate

C25H21NO3 — CID 102276088

IUPACphenyl 2-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-quinoline-1-carboxylate
SMILESCOc1ccc(/C=C/C2C=Cc3ccccc3N2C(=O)Oc2ccccc2)cc1
InChIInChI=1S/C25H21NO3/c1-28-22-17-12-19(13-18-22)11-15-21-16-14-20-7-5-6-10-24(20)26(21)25(27)29-23-8-3-2-4-9-23/h2-18,21H,1H3/b15-11+
InChIKeyLBUCUMLCSBKDLQ-RVDMUPIBSA-N
MW383.45 g/mol
LogP5.81
Rot. Bonds4

About phenyl 2-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-quinoline-1-carboxylate

phenyl 2-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-quinoline-1-carboxylate (PubChem CID 102276088) has the molecular formula C25H21NO3 and a molecular weight of 383.45 g/mol. Its IUPAC name is phenyl 2-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Namephenyl 2-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-quinoline-1-carboxylate
PubChem CID102276088
Molecular FormulaC25H21NO3
Molecular Weight383.45 g/mol
Exact Mass383.15
IUPAC Namephenyl 2-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-quinoline-1-carboxylate
SMILESCOc1ccc(/C=C/C2C=Cc3ccccc3N2C(=O)Oc2ccccc2)cc1
InChIInChI=1S/C25H21NO3/c1-28-22-17-12-19(13-18-22)11-15-21-16-14-20-7-5-6-10-24(20)26(21)25(27)29-23-8-3-2-4-9-23/h2-18,21H,1H3/b15-11+
InChIKeyLBUCUMLCSBKDLQ-RVDMUPIBSA-N
XLogP5.81
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl benzo[b][1]benzazepine-11-carboxylate
CID 110168207
(E)-3-(4-methoxyphenyl)prop-2-enoyl chloride;toluene
CID 118117364
(4-benzoylphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 43910920
phenyl 4-(4-methoxybenzoyl)piperidine-1-carboxylate
CID 110394064
(4-methoxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 774853
(2S)-2-[(2S)-1-methoxycarbonyl-2H-quinolin-2-yl]propanoic acid
CID 102476884
S-phenyl (E)-3-(4-methoxyphenyl)prop-2-enethioate
CID 102357044
[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] (Z)-3-(4-methoxyphenyl)prop-2-enoate
CID 51521387
(2E)-1-(4-methoxyphenyl)-2-(1-methylquinolin-2-ylidene)ethanone
CID 23279599
dimethyl 1-(4-methoxybenzoyl)-1,3a-dihydropyrrolo[1,2-a]quinoline-2,3-dicarboxylate
CID 102361301
phenyl 3-benzyl-2-oxo-4-(2-phenylethenyl)azetidine-1-carboxylate
CID 54273586
3-[4-(4-methoxyphenoxy)phenyl]prop-2-enoic acid
CID 20993961

Frequently Asked Questions

What is the IUPAC name of phenyl 2-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-quinoline-1-carboxylate?
The IUPAC name of phenyl 2-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-quinoline-1-carboxylate (CID 102276088) is phenyl 2-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-quinoline-1-carboxylate.
What is the SMILES notation for phenyl 2-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-quinoline-1-carboxylate?
The canonical SMILES for phenyl 2-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-quinoline-1-carboxylate is COc1ccc(/C=C/C2C=Cc3ccccc3N2C(=O)Oc2ccccc2)cc1.
What is the InChIKey of phenyl 2-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-quinoline-1-carboxylate?
The InChIKey is LBUCUMLCSBKDLQ-RVDMUPIBSA-N. The full InChI is InChI=1S/C25H21NO3/c1-28-22-17-12-19(13-18-22)11-15-21-16-14-20-7-5-6-10-24(20)26(21)25(27)29-23-8-3-2-4-9-23/h2-18,21H,1H3/b15-11+.
What are the key properties of phenyl 2-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-quinoline-1-carboxylate?
phenyl 2-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-quinoline-1-carboxylate has a molecular weight of 383.45 g/mol, XLogP of 5.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-quinoline-1-carboxylate is sourced from PubChem (CID 102276088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).