6-(2-methoxyphenyl)-2,2,4-trimethyl-1H-quinoline-5-carbaldehyde

C20H21NO2 — CID 142025737

IUPAC6-(2-methoxyphenyl)-2,2,4-trimethyl-1H-quinoline-5-carbaldehyde
SMILESCOc1ccccc1-c1ccc2c(c1C=O)C(C)=CC(C)(C)N2
InChIInChI=1S/C20H21NO2/c1-13-11-20(2,3)21-17-10-9-14(16(12-22)19(13)17)15-7-5-6-8-18(15)23-4/h5-12,21H,1-4H3
InChIKeyNOOIQLAXPQFEGJ-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.78
Rot. Bonds3

About 6-(2-methoxyphenyl)-2,2,4-trimethyl-1H-quinoline-5-carbaldehyde

6-(2-methoxyphenyl)-2,2,4-trimethyl-1H-quinoline-5-carbaldehyde (PubChem CID 142025737) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-2,2,4-trimethyl-1H-quinoline-5-carbaldehyde.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-2,2,4-trimethyl-1H-quinoline-5-carbaldehyde
PubChem CID142025737
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name6-(2-methoxyphenyl)-2,2,4-trimethyl-1H-quinoline-5-carbaldehyde
SMILESCOc1ccccc1-c1ccc2c(c1C=O)C(C)=CC(C)(C)N2
InChIInChI=1S/C20H21NO2/c1-13-11-20(2,3)21-17-10-9-14(16(12-22)19(13)17)15-7-5-6-8-18(15)23-4/h5-12,21H,1-4H3
InChIKeyNOOIQLAXPQFEGJ-UHFFFAOYSA-N
XLogP4.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[2,6-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-2,2,4-trimethyl-1H-quinoline-5-carbaldehyde
CID 11376099
6-(2-methoxyphenyl)-2,2,4-trimethyl-5-(phenylsulfanylmethyl)-1H-quinoline
CID 16660985
[6-(2-methoxyphenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methyl thiophene-2-carboxylate
CID 16659992
6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-[(2-methylphenoxy)methyl]-1H-quinoline
CID 16660318
3-methoxy-4-[5-[2-(2-methoxyphenyl)ethyl]-2,2,4-trimethyl-1H-quinolin-6-yl]phenol
CID 58506236
[[6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]-pyridin-4-ylmethyl] formate
CID 87388433
[6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methyl 3-phenylprop-2-enoate
CID 67390985
5-(chloromethyl)-6-(2-methoxy-5-methylphenyl)-2,2,4-trimethyl-1H-quinoline
CID 58026827
[6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methyl 2-(2-hydroxyphenyl)acetate
CID 58027145
2,2,4-trimethyl-1H-quinoline;hydrochloride
CID 6602975
[3-methoxy-4-[5-[(2-methoxyanilino)methyl]-2,2,4-trimethyl-1H-quinolin-6-yl]phenyl] propane-1-sulfonate
CID 44514158
(5Z)-5-but-3-enylidene-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
CID 22314988

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-2,2,4-trimethyl-1H-quinoline-5-carbaldehyde?
The IUPAC name of 6-(2-methoxyphenyl)-2,2,4-trimethyl-1H-quinoline-5-carbaldehyde (CID 142025737) is 6-(2-methoxyphenyl)-2,2,4-trimethyl-1H-quinoline-5-carbaldehyde.
What is the SMILES notation for 6-(2-methoxyphenyl)-2,2,4-trimethyl-1H-quinoline-5-carbaldehyde?
The canonical SMILES for 6-(2-methoxyphenyl)-2,2,4-trimethyl-1H-quinoline-5-carbaldehyde is COc1ccccc1-c1ccc2c(c1C=O)C(C)=CC(C)(C)N2.
What is the InChIKey of 6-(2-methoxyphenyl)-2,2,4-trimethyl-1H-quinoline-5-carbaldehyde?
The InChIKey is NOOIQLAXPQFEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-13-11-20(2,3)21-17-10-9-14(16(12-22)19(13)17)15-7-5-6-8-18(15)23-4/h5-12,21H,1-4H3.
What are the key properties of 6-(2-methoxyphenyl)-2,2,4-trimethyl-1H-quinoline-5-carbaldehyde?
6-(2-methoxyphenyl)-2,2,4-trimethyl-1H-quinoline-5-carbaldehyde has a molecular weight of 307.39 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-2,2,4-trimethyl-1H-quinoline-5-carbaldehyde is sourced from PubChem (CID 142025737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).