6-(2-methoxyphenyl)-2,2-dimethyl-4-(1-prop-2-enoxybut-3-enyl)-1H-quinoline

C25H29NO2 — CID 10362131

IUPAC6-(2-methoxyphenyl)-2,2-dimethyl-4-(1-prop-2-enoxybut-3-enyl)-1H-quinoline
SMILESC=CCOC(CC=C)C1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21
InChIInChI=1S/C25H29NO2/c1-6-10-24(28-15-7-2)21-17-25(3,4)26-22-14-13-18(16-20(21)22)19-11-8-9-12-23(19)27-5/h6-9,11-14,16-17,24,26H,1-2,10,15H2,3-5H3
InChIKeyJVSMSOQVLPRHJX-UHFFFAOYSA-N
MW375.51 g/mol
LogP6.10
Rot. Bonds8

About 6-(2-methoxyphenyl)-2,2-dimethyl-4-(1-prop-2-enoxybut-3-enyl)-1H-quinoline

6-(2-methoxyphenyl)-2,2-dimethyl-4-(1-prop-2-enoxybut-3-enyl)-1H-quinoline (PubChem CID 10362131) has the molecular formula C25H29NO2 and a molecular weight of 375.51 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-2,2-dimethyl-4-(1-prop-2-enoxybut-3-enyl)-1H-quinoline.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-2,2-dimethyl-4-(1-prop-2-enoxybut-3-enyl)-1H-quinoline
PubChem CID10362131
Molecular FormulaC25H29NO2
Molecular Weight375.51 g/mol
Exact Mass375.22
IUPAC Name6-(2-methoxyphenyl)-2,2-dimethyl-4-(1-prop-2-enoxybut-3-enyl)-1H-quinoline
SMILESC=CCOC(CC=C)C1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21
InChIInChI=1S/C25H29NO2/c1-6-10-24(28-15-7-2)21-17-25(3,4)26-22-14-13-18(16-20(21)22)19-11-8-9-12-23(19)27-5/h6-9,11-14,16-17,24,26H,1-2,10,15H2,3-5H3
InChIKeyJVSMSOQVLPRHJX-UHFFFAOYSA-N
XLogP6.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.51
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-(2-methoxyphenyl)-2,2-dimethyl-4-(1-prop-2-enoxybut-3-enyl)-1H-quinoline with MolForge

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Related Compounds

Ethoxyquin
CID 3293
(5Z)-2,2,4-trimethyl-5-[(2-methylphenyl)methylidene]-1H-chromeno[3,4-f]quinoline
CID 9951771
10-methoxy-5-(2-propenyl)-2,5-dihydro-2,2,4-trimethyl-1H-(1)benzopyrano(3,4-f)quinoline
CID 9906282
4-Allylsulfanylmethyl-6-(2-methoxyphenyl)-2,2-dimethyl-1,2-dihydroquinoline
CID 9950357
Thioacetic acid S-[6-(2-methoxyphenyl)-2,2-dimethyl-1,2-dihydroquinolin-4-ylmethyl] ester
CID 9998207
6-(2-methoxyphenyl)-2,2-dimethyl-4-{1-[(2E)-pent-2-en-1-yloxy]ethyl}-1,2-dihydroquinoline
CID 9999671
6-(2-Methoxyphenyl)-2,2-dimethyl-4-phenethylsulfanylmethyl-1,2-dihydroquinoline
CID 10001914
6-(2-Methoxyphenyl)-2,2-dimethyl-4-[1-(prop-2-en-1-yloxy)propyl]-1,2-dihydroquinoline
CID 10021634
6-(2-Methoxyphenyl)-2,2-dimethyl-4-[2-methyl-1-(prop-2-en-1-yloxy)propyl]-1,2-dihydroquinoline
CID 10068183
4-[1-(2-Cyclohexylethoxy)ethyl]-6-(2-methoxyphenyl)-2,2-dimethyl-1,2-dihydroquinoline
CID 10070722
6-(2-Methoxyphenyl)-2,2-dimethyl-4-[3-phenyl-1-(prop-2-en-1-yloxy)propyl]-1,2-dihydroquinoline
CID 10071910
4-{1-[2-(3-Chlorophenyl)ethoxy]ethyl}-6-(2-methoxyphenyl)-2,2-dimethyl-1,2-dihydroquinoline
CID 10072320

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-2,2-dimethyl-4-(1-prop-2-enoxybut-3-enyl)-1H-quinoline?
The IUPAC name of 6-(2-methoxyphenyl)-2,2-dimethyl-4-(1-prop-2-enoxybut-3-enyl)-1H-quinoline (CID 10362131) is 6-(2-methoxyphenyl)-2,2-dimethyl-4-(1-prop-2-enoxybut-3-enyl)-1H-quinoline.
What is the SMILES notation for 6-(2-methoxyphenyl)-2,2-dimethyl-4-(1-prop-2-enoxybut-3-enyl)-1H-quinoline?
The canonical SMILES for 6-(2-methoxyphenyl)-2,2-dimethyl-4-(1-prop-2-enoxybut-3-enyl)-1H-quinoline is C=CCOC(CC=C)C1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21.
What is the InChIKey of 6-(2-methoxyphenyl)-2,2-dimethyl-4-(1-prop-2-enoxybut-3-enyl)-1H-quinoline?
The InChIKey is JVSMSOQVLPRHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO2/c1-6-10-24(28-15-7-2)21-17-25(3,4)26-22-14-13-18(16-20(21)22)19-11-8-9-12-23(19)27-5/h6-9,11-14,16-17,24,26H,1-2,10,15H2,3-5H3.
What are the key properties of 6-(2-methoxyphenyl)-2,2-dimethyl-4-(1-prop-2-enoxybut-3-enyl)-1H-quinoline?
6-(2-methoxyphenyl)-2,2-dimethyl-4-(1-prop-2-enoxybut-3-enyl)-1H-quinoline has a molecular weight of 375.51 g/mol, XLogP of 6.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-2,2-dimethyl-4-(1-prop-2-enoxybut-3-enyl)-1H-quinoline is sourced from PubChem (CID 10362131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).