4-(1-methoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethylquinoline-1-carbaldehyde;2-methoxy-2-methylpropane

C27H37NO4 — CID 142866255

IUPAC4-(1-methoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethylquinoline-1-carbaldehyde;2-methoxy-2-methylpropane
SMILESCOC(C)(C)C.COc1ccccc1-c1ccc2c(c1)C(C(C)OC)=CC(C)(C)N2C=O
InChIInChI=1S/C22H25NO3.C5H12O/c1-15(25-4)19-13-22(2,3)23(14-24)20-11-10-16(12-18(19)20)17-8-6-7-9-21(17)26-5;1-5(2,3)6-4/h6-15H,1-5H3;1-4H3
InChIKeyRBTRCIOELZYYCQ-UHFFFAOYSA-N
MW439.60 g/mol
LogP5.97
Rot. Bonds5

About 4-(1-methoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethylquinoline-1-carbaldehyde;2-methoxy-2-methylpropane

4-(1-methoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethylquinoline-1-carbaldehyde;2-methoxy-2-methylpropane (PubChem CID 142866255) has the molecular formula C27H37NO4 and a molecular weight of 439.60 g/mol. Its IUPAC name is 4-(1-methoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethylquinoline-1-carbaldehyde;2-methoxy-2-methylpropane.

Molecular Properties

Compound Name4-(1-methoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethylquinoline-1-carbaldehyde;2-methoxy-2-methylpropane
PubChem CID142866255
Molecular FormulaC27H37NO4
Molecular Weight439.60 g/mol
Exact Mass439.27
IUPAC Name4-(1-methoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethylquinoline-1-carbaldehyde;2-methoxy-2-methylpropane
SMILESCOC(C)(C)C.COc1ccccc1-c1ccc2c(c1)C(C(C)OC)=CC(C)(C)N2C=O
InChIInChI=1S/C22H25NO3.C5H12O/c1-15(25-4)19-13-22(2,3)23(14-24)20-11-10-16(12-18(19)20)17-8-6-7-9-21(17)26-5;1-5(2,3)6-4/h6-15H,1-5H3;1-4H3
InChIKeyRBTRCIOELZYYCQ-UHFFFAOYSA-N
XLogP5.97
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.60
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[1-[(E)-but-2-enoxy]ethyl]-6-(2-methoxyphenyl)-2,2-dimethylquinoline-1-carboxylic acid
CID 22566544
4-(1-methoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline
CID 23648072
4-(1-but-2-enoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline
CID 69153338
(E)-3-[6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinolin-4-yl]prop-2-enoic acid
CID 22566514
1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
CID 86116478
ethyl 3-[6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinolin-4-yl]prop-2-enoate
CID 69153236
2-(4-chlorophenyl)ethanol;4-[1-[2-(4-chlorophenyl)ethoxy]ethyl]-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline
CID 69154032
2-fluoro-4-(2-methoxyphenyl)phenol
CID 53219298
1-[3-(2-methoxyphenyl)phenyl]-2-methylpropan-1-one
CID 82120149
tert-butyl 4-(2-methoxyphenyl)benzoate
CID 134941633
5-(2-methoxyphenyl)-2-propan-2-yloxyaniline
CID 164512499
6-(2-methoxyphenyl)-2,2-dimethyl-4-[2-(1-phenylethoxy)ethyl]-1H-quinoline
CID 10387054

Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethylquinoline-1-carbaldehyde;2-methoxy-2-methylpropane?
The IUPAC name of 4-(1-methoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethylquinoline-1-carbaldehyde;2-methoxy-2-methylpropane (CID 142866255) is 4-(1-methoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethylquinoline-1-carbaldehyde;2-methoxy-2-methylpropane.
What is the SMILES notation for 4-(1-methoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethylquinoline-1-carbaldehyde;2-methoxy-2-methylpropane?
The canonical SMILES for 4-(1-methoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethylquinoline-1-carbaldehyde;2-methoxy-2-methylpropane is COC(C)(C)C.COc1ccccc1-c1ccc2c(c1)C(C(C)OC)=CC(C)(C)N2C=O.
What is the InChIKey of 4-(1-methoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethylquinoline-1-carbaldehyde;2-methoxy-2-methylpropane?
The InChIKey is RBTRCIOELZYYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3.C5H12O/c1-15(25-4)19-13-22(2,3)23(14-24)20-11-10-16(12-18(19)20)17-8-6-7-9-21(17)26-5;1-5(2,3)6-4/h6-15H,1-5H3;1-4H3.
What are the key properties of 4-(1-methoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethylquinoline-1-carbaldehyde;2-methoxy-2-methylpropane?
4-(1-methoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethylquinoline-1-carbaldehyde;2-methoxy-2-methylpropane has a molecular weight of 439.60 g/mol, XLogP of 5.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethylquinoline-1-carbaldehyde;2-methoxy-2-methylpropane is sourced from PubChem (CID 142866255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).