4-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]-7-methoxyquinoline

C15H15NO3 — CID 67626821

IUPAC4-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]-7-methoxyquinoline
SMILESCOc1ccc2c(/C=C/C3OCCO3)ccnc2c1
InChIInChI=1S/C15H15NO3/c1-17-12-3-4-13-11(6-7-16-14(13)10-12)2-5-15-18-8-9-19-15/h2-7,10,15H,8-9H2,1H3/b5-2+
InChIKeyWOOCEWIQJOOXIU-GORDUTHDSA-N
MW257.29 g/mol
LogP2.63
Rot. Bonds3

About 4-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]-7-methoxyquinoline

4-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]-7-methoxyquinoline (PubChem CID 67626821) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]-7-methoxyquinoline.

Molecular Properties

Compound Name4-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]-7-methoxyquinoline
PubChem CID67626821
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name4-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]-7-methoxyquinoline
SMILESCOc1ccc2c(/C=C/C3OCCO3)ccnc2c1
InChIInChI=1S/C15H15NO3/c1-17-12-3-4-13-11(6-7-16-14(13)10-12)2-5-15-18-8-9-19-15/h2-7,10,15H,8-9H2,1H3/b5-2+
InChIKeyWOOCEWIQJOOXIU-GORDUTHDSA-N
XLogP2.63
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-4-[(E)-3-phenylprop-1-enyl]quinoline
CID 70913061
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[(E)-2-(6-methoxyquinolin-4-yl)ethenyl]-1,3-dioxan-5-amine
CID 146503168
4,7-dimethoxyquinoline
CID 20743716
6-methoxy-4-[(Z)-2-phenylethenyl]quinoline
CID 54610787
2-[(Z)-4-(7-methoxyquinolin-4-yl)but-3-enyl]isoindole-1,3-dione
CID 67657749
6-methoxy-4-[(E)-2-(6-methoxyquinolin-4-yl)ethenyl]-1-methylquinolin-1-ium chloride
CID 134111041
N,N'-bis(7-methoxyquinolin-4-yl)ethane-1,2-diamine
CID 118717457
7-methoxy-4-phenylsulfanylquinoline
CID 59598389
4-azido-7-methoxyquinoline
CID 4233800
(2S,3R,5S)-6-(hydroxymethyl)-3-(7-methoxyquinolin-4-yl)oxyoxane-2,4,5-triol
CID 23728763
7-methoxy-4-pyridin-3-yloxyquinoline
CID 154308048
6-methoxyquinoline-4-sulfonic acid
CID 119093175

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]-7-methoxyquinoline?
The IUPAC name of 4-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]-7-methoxyquinoline (CID 67626821) is 4-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]-7-methoxyquinoline.
What is the SMILES notation for 4-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]-7-methoxyquinoline?
The canonical SMILES for 4-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]-7-methoxyquinoline is COc1ccc2c(/C=C/C3OCCO3)ccnc2c1.
What is the InChIKey of 4-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]-7-methoxyquinoline?
The InChIKey is WOOCEWIQJOOXIU-GORDUTHDSA-N. The full InChI is InChI=1S/C15H15NO3/c1-17-12-3-4-13-11(6-7-16-14(13)10-12)2-5-15-18-8-9-19-15/h2-7,10,15H,8-9H2,1H3/b5-2+.
What are the key properties of 4-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]-7-methoxyquinoline?
4-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]-7-methoxyquinoline has a molecular weight of 257.29 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]-7-methoxyquinoline is sourced from PubChem (CID 67626821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).