6-(2-methoxyphenyl)-2,2-dimethyl-4-(2-methyl-1-prop-2-enoxypropyl)-1H-quinoline

C25H31NO2 — CID 10068183

IUPAC6-(2-methoxyphenyl)-2,2-dimethyl-4-(2-methyl-1-prop-2-enoxypropyl)-1H-quinoline
SMILESC=CCOC(C1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21)C(C)C
InChIInChI=1S/C25H31NO2/c1-7-14-28-24(17(2)3)21-16-25(4,5)26-22-13-12-18(15-20(21)22)19-10-8-9-11-23(19)27-6/h7-13,15-17,24,26H,1,14H2,2-6H3
InChIKeyUQGIWZOYDNHCSJ-UHFFFAOYSA-N
MW377.53 g/mol
LogP6.18
Rot. Bonds7

About 6-(2-methoxyphenyl)-2,2-dimethyl-4-(2-methyl-1-prop-2-enoxypropyl)-1H-quinoline

6-(2-methoxyphenyl)-2,2-dimethyl-4-(2-methyl-1-prop-2-enoxypropyl)-1H-quinoline (PubChem CID 10068183) has the molecular formula C25H31NO2 and a molecular weight of 377.53 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-2,2-dimethyl-4-(2-methyl-1-prop-2-enoxypropyl)-1H-quinoline.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-2,2-dimethyl-4-(2-methyl-1-prop-2-enoxypropyl)-1H-quinoline
PubChem CID10068183
Molecular FormulaC25H31NO2
Molecular Weight377.53 g/mol
Exact Mass377.24
IUPAC Name6-(2-methoxyphenyl)-2,2-dimethyl-4-(2-methyl-1-prop-2-enoxypropyl)-1H-quinoline
SMILESC=CCOC(C1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21)C(C)C
InChIInChI=1S/C25H31NO2/c1-7-14-28-24(17(2)3)21-16-25(4,5)26-22-13-12-18(15-20(21)22)19-10-8-9-11-23(19)27-6/h7-13,15-17,24,26H,1,14H2,2-6H3
InChIKeyUQGIWZOYDNHCSJ-UHFFFAOYSA-N
XLogP6.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-2,2-dimethyl-4-(2-methyl-1-prop-2-enoxypropyl)-1H-quinoline?
The IUPAC name of 6-(2-methoxyphenyl)-2,2-dimethyl-4-(2-methyl-1-prop-2-enoxypropyl)-1H-quinoline (CID 10068183) is 6-(2-methoxyphenyl)-2,2-dimethyl-4-(2-methyl-1-prop-2-enoxypropyl)-1H-quinoline.
What is the SMILES notation for 6-(2-methoxyphenyl)-2,2-dimethyl-4-(2-methyl-1-prop-2-enoxypropyl)-1H-quinoline?
The canonical SMILES for 6-(2-methoxyphenyl)-2,2-dimethyl-4-(2-methyl-1-prop-2-enoxypropyl)-1H-quinoline is C=CCOC(C1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21)C(C)C.
What is the InChIKey of 6-(2-methoxyphenyl)-2,2-dimethyl-4-(2-methyl-1-prop-2-enoxypropyl)-1H-quinoline?
The InChIKey is UQGIWZOYDNHCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO2/c1-7-14-28-24(17(2)3)21-16-25(4,5)26-22-13-12-18(15-20(21)22)19-10-8-9-11-23(19)27-6/h7-13,15-17,24,26H,1,14H2,2-6H3.
What are the key properties of 6-(2-methoxyphenyl)-2,2-dimethyl-4-(2-methyl-1-prop-2-enoxypropyl)-1H-quinoline?
6-(2-methoxyphenyl)-2,2-dimethyl-4-(2-methyl-1-prop-2-enoxypropyl)-1H-quinoline has a molecular weight of 377.53 g/mol, XLogP of 6.18, 7 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-(2-methyl-1-prop-2-enoxypropyl)-1H-quinoline is sourced from PubChem (CID 10068183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).