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

C14H21NO — CID 21498610

IUPAC6-methoxy-2,2,4,7-tetramethyl-3,4-dihydro-1H-quinoline
SMILESCOc1cc2c(cc1C)NC(C)(C)CC2C
InChIInChI=1S/C14H21NO/c1-9-6-12-11(7-13(9)16-5)10(2)8-14(3,4)15-12/h6-7,10,15H,8H2,1-5H3
InChIKeyCAPBBOOKJDERSV-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.70
Rot. Bonds1

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

6-methoxy-2,2,4,7-tetramethyl-3,4-dihydro-1H-quinoline (PubChem CID 21498610) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 6-methoxy-2,2,4,7-tetramethyl-3,4-dihydro-1H-quinoline.

Molecular Properties

Compound Name6-methoxy-2,2,4,7-tetramethyl-3,4-dihydro-1H-quinoline
PubChem CID21498610
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name6-methoxy-2,2,4,7-tetramethyl-3,4-dihydro-1H-quinoline
SMILESCOc1cc2c(cc1C)NC(C)(C)CC2C
InChIInChI=1S/C14H21NO/c1-9-6-12-11(7-13(9)16-5)10(2)8-14(3,4)15-12/h6-7,10,15H,8H2,1-5H3
InChIKeyCAPBBOOKJDERSV-UHFFFAOYSA-N
XLogP3.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,2,4,7-tetramethyl-3,4-dihydro-1H-quinoline?
The IUPAC name of 6-methoxy-2,2,4,7-tetramethyl-3,4-dihydro-1H-quinoline (CID 21498610) is 6-methoxy-2,2,4,7-tetramethyl-3,4-dihydro-1H-quinoline.
What is the SMILES notation for 6-methoxy-2,2,4,7-tetramethyl-3,4-dihydro-1H-quinoline?
The canonical SMILES for 6-methoxy-2,2,4,7-tetramethyl-3,4-dihydro-1H-quinoline is COc1cc2c(cc1C)NC(C)(C)CC2C.
What is the InChIKey of 6-methoxy-2,2,4,7-tetramethyl-3,4-dihydro-1H-quinoline?
The InChIKey is CAPBBOOKJDERSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-9-6-12-11(7-13(9)16-5)10(2)8-14(3,4)15-12/h6-7,10,15H,8H2,1-5H3.
What are the key properties of 6-methoxy-2,2,4,7-tetramethyl-3,4-dihydro-1H-quinoline?
6-methoxy-2,2,4,7-tetramethyl-3,4-dihydro-1H-quinoline has a molecular weight of 219.33 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,2,4,7-tetramethyl-3,4-dihydro-1H-quinoline is sourced from PubChem (CID 21498610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).