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'}

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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).