6-(2-methoxyphenyl)-2,2-dimethyl-4-[phenyl(prop-2-enoxy)methyl]-1H-quinoline

C28H29NO2 — CID 10001663

IUPAC6-(2-methoxyphenyl)-2,2-dimethyl-4-[phenyl(prop-2-enoxy)methyl]-1H-quinoline
SMILESC=CCOC(C1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21)c1ccccc1
InChIInChI=1S/C28H29NO2/c1-5-17-31-27(20-11-7-6-8-12-20)24-19-28(2,3)29-25-16-15-21(18-23(24)25)22-13-9-10-14-26(22)30-4/h5-16,18-19,27,29H,1,17H2,2-4H3
InChIKeyIGNUMFRXLRBTMF-UHFFFAOYSA-N
MW411.55 g/mol
LogP6.89
Rot. Bonds7

About 6-(2-methoxyphenyl)-2,2-dimethyl-4-[phenyl(prop-2-enoxy)methyl]-1H-quinoline

6-(2-methoxyphenyl)-2,2-dimethyl-4-[phenyl(prop-2-enoxy)methyl]-1H-quinoline (PubChem CID 10001663) has the molecular formula C28H29NO2 and a molecular weight of 411.55 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-2,2-dimethyl-4-[phenyl(prop-2-enoxy)methyl]-1H-quinoline.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-2,2-dimethyl-4-[phenyl(prop-2-enoxy)methyl]-1H-quinoline
PubChem CID10001663
Molecular FormulaC28H29NO2
Molecular Weight411.55 g/mol
Exact Mass411.22
IUPAC Name6-(2-methoxyphenyl)-2,2-dimethyl-4-[phenyl(prop-2-enoxy)methyl]-1H-quinoline
SMILESC=CCOC(C1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21)c1ccccc1
InChIInChI=1S/C28H29NO2/c1-5-17-31-27(20-11-7-6-8-12-20)24-19-28(2,3)29-25-16-15-21(18-23(24)25)22-13-9-10-14-26(22)30-4/h5-16,18-19,27,29H,1,17H2,2-4H3
InChIKeyIGNUMFRXLRBTMF-UHFFFAOYSA-N
XLogP6.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.55
LogP ≤ 56.89
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

6-(2-methoxyphenyl)-2,2-dimethyl-4-(1-prop-2-enoxybut-3-enyl)-1H-quinoline
CID 10362131
6-(2-methoxyphenyl)-2,2-dimethyl-4-(prop-2-enoxymethyl)-1H-quinoline
CID 10314903
4-(1-but-2-enoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline
CID 69153338
4-(1-methoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline
CID 23648072
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
N-[2-[6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinolin-4-yl]ethyl]prop-2-en-1-amine
CID 10247176
(E)-3-[6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinolin-4-yl]prop-2-enoic acid
CID 22566514
2-(4-chlorophenyl)ethanol;4-[1-[2-(4-chlorophenyl)ethoxy]ethyl]-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline
CID 69154032
4-[(3,5-dichlorophenyl)sulfanylmethyl]-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline
CID 10479191
8-(2-methoxyphenyl)-2,2-dimethyl-4-(2-phenyl-1-prop-2-enoxyethyl)-1H-quinoline
CID 69153969
ethyl 3-[6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinolin-4-yl]prop-2-enoate
CID 69153236

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-2,2-dimethyl-4-[phenyl(prop-2-enoxy)methyl]-1H-quinoline?
The IUPAC name of 6-(2-methoxyphenyl)-2,2-dimethyl-4-[phenyl(prop-2-enoxy)methyl]-1H-quinoline (CID 10001663) is 6-(2-methoxyphenyl)-2,2-dimethyl-4-[phenyl(prop-2-enoxy)methyl]-1H-quinoline.
What is the SMILES notation for 6-(2-methoxyphenyl)-2,2-dimethyl-4-[phenyl(prop-2-enoxy)methyl]-1H-quinoline?
The canonical SMILES for 6-(2-methoxyphenyl)-2,2-dimethyl-4-[phenyl(prop-2-enoxy)methyl]-1H-quinoline is C=CCOC(C1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21)c1ccccc1.
What is the InChIKey of 6-(2-methoxyphenyl)-2,2-dimethyl-4-[phenyl(prop-2-enoxy)methyl]-1H-quinoline?
The InChIKey is IGNUMFRXLRBTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO2/c1-5-17-31-27(20-11-7-6-8-12-20)24-19-28(2,3)29-25-16-15-21(18-23(24)25)22-13-9-10-14-26(22)30-4/h5-16,18-19,27,29H,1,17H2,2-4H3.
What are the key properties of 6-(2-methoxyphenyl)-2,2-dimethyl-4-[phenyl(prop-2-enoxy)methyl]-1H-quinoline?
6-(2-methoxyphenyl)-2,2-dimethyl-4-[phenyl(prop-2-enoxy)methyl]-1H-quinoline has a molecular weight of 411.55 g/mol, XLogP of 6.89, 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-[phenyl(prop-2-enoxy)methyl]-1H-quinoline is sourced from PubChem (CID 10001663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).