2-hexadecyl-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydro-1H-quinoline

C30H53NO — CID 70809040

IUPAC2-hexadecyl-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydro-1H-quinoline
SMILESCCCCCCCCCCCCCCCCC1(C)CCc2c(C)c(OC)c(C)c(C)c2N1
InChIInChI=1S/C30H53NO/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-30(5)23-21-27-26(4)29(32-6)25(3)24(2)28(27)31-30/h31H,7-23H2,1-6H3
InChIKeyGSDKKGKYFDDDFI-UHFFFAOYSA-N
MW443.76 g/mol
LogP9.61
Rot. Bonds16

About 2-hexadecyl-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydro-1H-quinoline

2-hexadecyl-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydro-1H-quinoline (PubChem CID 70809040) has the molecular formula C30H53NO and a molecular weight of 443.76 g/mol. Its IUPAC name is 2-hexadecyl-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydro-1H-quinoline.

Molecular Properties

Compound Name2-hexadecyl-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydro-1H-quinoline
PubChem CID70809040
Molecular FormulaC30H53NO
Molecular Weight443.76 g/mol
Exact Mass443.41
IUPAC Name2-hexadecyl-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydro-1H-quinoline
SMILESCCCCCCCCCCCCCCCCC1(C)CCc2c(C)c(OC)c(C)c(C)c2N1
InChIInChI=1S/C30H53NO/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-30(5)23-21-27-26(4)29(32-6)25(3)24(2)28(27)31-30/h31H,7-23H2,1-6H3
InChIKeyGSDKKGKYFDDDFI-UHFFFAOYSA-N
XLogP9.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.76
LogP ≤ 59.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hexadecyl-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydro-1H-quinoline?
The IUPAC name of 2-hexadecyl-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydro-1H-quinoline (CID 70809040) is 2-hexadecyl-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydro-1H-quinoline.
What is the SMILES notation for 2-hexadecyl-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydro-1H-quinoline?
The canonical SMILES for 2-hexadecyl-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydro-1H-quinoline is CCCCCCCCCCCCCCCCC1(C)CCc2c(C)c(OC)c(C)c(C)c2N1.
What is the InChIKey of 2-hexadecyl-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydro-1H-quinoline?
The InChIKey is GSDKKGKYFDDDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H53NO/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-30(5)23-21-27-26(4)29(32-6)25(3)24(2)28(27)31-30/h31H,7-23H2,1-6H3.
What are the key properties of 2-hexadecyl-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydro-1H-quinoline?
2-hexadecyl-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydro-1H-quinoline has a molecular weight of 443.76 g/mol, XLogP of 9.61, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexadecyl-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydro-1H-quinoline is sourced from PubChem (CID 70809040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).