4-(1-but-2-enoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline

C24H29NO2 — CID 69153338

IUPAC4-(1-but-2-enoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline
SMILESCC=CCOC(C)C1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21
InChIInChI=1S/C24H29NO2/c1-6-7-14-27-17(2)21-16-24(3,4)25-22-13-12-18(15-20(21)22)19-10-8-9-11-23(19)26-5/h6-13,15-17,25H,14H2,1-5H3
InChIKeyJFEUWHWUEKXKKU-UHFFFAOYSA-N
MW363.50 g/mol
LogP5.93
Rot. Bonds6

About 4-(1-but-2-enoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline

4-(1-but-2-enoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline (PubChem CID 69153338) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is 4-(1-but-2-enoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline.

Molecular Properties

Compound Name4-(1-but-2-enoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline
PubChem CID69153338
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC Name4-(1-but-2-enoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline
SMILESCC=CCOC(C)C1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21
InChIInChI=1S/C24H29NO2/c1-6-7-14-27-17(2)21-16-24(3,4)25-22-13-12-18(15-20(21)22)19-10-8-9-11-23(19)26-5/h6-13,15-17,25H,14H2,1-5H3
InChIKeyJFEUWHWUEKXKKU-UHFFFAOYSA-N
XLogP5.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.50
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1-methoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline
CID 23648072
6-(2-methoxyphenyl)-2,2-dimethyl-4-[phenyl(prop-2-enoxy)methyl]-1H-quinoline
CID 10001663
6-(2-methoxyphenyl)-2,2-dimethyl-4-(1-prop-2-enoxybut-3-enyl)-1H-quinoline
CID 10362131
4-[1-[(E)-but-2-enoxy]ethyl]-6-(2-methoxyphenyl)-2,2-dimethylquinoline-1-carboxylic acid
CID 22566544
2-(4-chlorophenyl)ethanol;4-[1-[2-(4-chlorophenyl)ethoxy]ethyl]-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline
CID 69154032
6-(2-methoxyphenyl)-2,2-dimethyl-4-[2-(1-phenylethoxy)ethyl]-1H-quinoline
CID 10387054
(4-chlorophenyl)-[6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinolin-4-yl]methanethiol
CID 87724451
6-(2-methoxyphenyl)-2,2-dimethyl-4-(prop-2-enoxymethyl)-1H-quinoline
CID 10314903
6-(2-methoxycyclohexa-1,5-dien-1-yl)-2,2-dimethyl-4-[1-[(E)-pent-2-enoxy]ethyl]-1H-quinoline
CID 142866248
(E)-3-[6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinolin-4-yl]prop-2-enoic acid
CID 22566514
ethyl 3-[6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinolin-4-yl]prop-2-enoate
CID 69153236
N-[2-[6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinolin-4-yl]ethyl]prop-2-en-1-amine
CID 10247176

Frequently Asked Questions

What is the IUPAC name of 4-(1-but-2-enoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline?
The IUPAC name of 4-(1-but-2-enoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline (CID 69153338) is 4-(1-but-2-enoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline.
What is the SMILES notation for 4-(1-but-2-enoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline?
The canonical SMILES for 4-(1-but-2-enoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline is CC=CCOC(C)C1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21.
What is the InChIKey of 4-(1-but-2-enoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline?
The InChIKey is JFEUWHWUEKXKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO2/c1-6-7-14-27-17(2)21-16-24(3,4)25-22-13-12-18(15-20(21)22)19-10-8-9-11-23(19)26-5/h6-13,15-17,25H,14H2,1-5H3.
What are the key properties of 4-(1-but-2-enoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline?
4-(1-but-2-enoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline has a molecular weight of 363.50 g/mol, XLogP of 5.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-but-2-enoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline is sourced from PubChem (CID 69153338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).