6-(2-methoxyphenyl)-2,2-dimethyl-4-[1-(2-phenylethoxy)ethyl]-1H-quinoline

C28H31NO2 — CID 22566509

IUPAC6-(2-methoxyphenyl)-2,2-dimethyl-4-[1-(2-phenylethoxy)ethyl]-1H-quinoline
SMILESCOc1ccccc1-c1ccc2c(c1)C(C(C)OCCc1ccccc1)=CC(C)(C)N2
InChIInChI=1S/C28H31NO2/c1-20(31-17-16-21-10-6-5-7-11-21)25-19-28(2,3)29-26-15-14-22(18-24(25)26)23-12-8-9-13-27(23)30-4/h5-15,18-20,29H,16-17H2,1-4H3
InChIKeyPPWNORQDTLXCGH-UHFFFAOYSA-N
MW413.56 g/mol
LogP6.60
Rot. Bonds7

About 6-(2-methoxyphenyl)-2,2-dimethyl-4-[1-(2-phenylethoxy)ethyl]-1H-quinoline

6-(2-methoxyphenyl)-2,2-dimethyl-4-[1-(2-phenylethoxy)ethyl]-1H-quinoline (PubChem CID 22566509) has the molecular formula C28H31NO2 and a molecular weight of 413.56 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-2,2-dimethyl-4-[1-(2-phenylethoxy)ethyl]-1H-quinoline.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-2,2-dimethyl-4-[1-(2-phenylethoxy)ethyl]-1H-quinoline
PubChem CID22566509
Molecular FormulaC28H31NO2
Molecular Weight413.56 g/mol
Exact Mass413.24
IUPAC Name6-(2-methoxyphenyl)-2,2-dimethyl-4-[1-(2-phenylethoxy)ethyl]-1H-quinoline
SMILESCOc1ccccc1-c1ccc2c(c1)C(C(C)OCCc1ccccc1)=CC(C)(C)N2
InChIInChI=1S/C28H31NO2/c1-20(31-17-16-21-10-6-5-7-11-21)25-19-28(2,3)29-26-15-14-22(18-24(25)26)23-12-8-9-13-27(23)30-4/h5-15,18-20,29H,16-17H2,1-4H3
InChIKeyPPWNORQDTLXCGH-UHFFFAOYSA-N
XLogP6.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.56
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(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
6-(2-Methoxyphenyl)-2,2-dimethyl-4-[1-(prop-2-en-1-yloxy)ethyl]-1,2-dihydroquinoline
CID 10247253

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-2,2-dimethyl-4-[1-(2-phenylethoxy)ethyl]-1H-quinoline?
The IUPAC name of 6-(2-methoxyphenyl)-2,2-dimethyl-4-[1-(2-phenylethoxy)ethyl]-1H-quinoline (CID 22566509) is 6-(2-methoxyphenyl)-2,2-dimethyl-4-[1-(2-phenylethoxy)ethyl]-1H-quinoline.
What is the SMILES notation for 6-(2-methoxyphenyl)-2,2-dimethyl-4-[1-(2-phenylethoxy)ethyl]-1H-quinoline?
The canonical SMILES for 6-(2-methoxyphenyl)-2,2-dimethyl-4-[1-(2-phenylethoxy)ethyl]-1H-quinoline is COc1ccccc1-c1ccc2c(c1)C(C(C)OCCc1ccccc1)=CC(C)(C)N2.
What is the InChIKey of 6-(2-methoxyphenyl)-2,2-dimethyl-4-[1-(2-phenylethoxy)ethyl]-1H-quinoline?
The InChIKey is PPWNORQDTLXCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31NO2/c1-20(31-17-16-21-10-6-5-7-11-21)25-19-28(2,3)29-26-15-14-22(18-24(25)26)23-12-8-9-13-27(23)30-4/h5-15,18-20,29H,16-17H2,1-4H3.
What are the key properties of 6-(2-methoxyphenyl)-2,2-dimethyl-4-[1-(2-phenylethoxy)ethyl]-1H-quinoline?
6-(2-methoxyphenyl)-2,2-dimethyl-4-[1-(2-phenylethoxy)ethyl]-1H-quinoline has a molecular weight of 413.56 g/mol, XLogP of 6.60, 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-[1-(2-phenylethoxy)ethyl]-1H-quinoline is sourced from PubChem (CID 22566509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).