7-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline

C13H21NO — CID 70582307

IUPAC7-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline
SMILESCOC1=CCC2C(=C1)NC(C)(C)CC2C
InChIInChI=1S/C13H21NO/c1-9-8-13(2,3)14-12-7-10(15-4)5-6-11(9)12/h5,7,9,11,14H,6,8H2,1-4H3
InChIKeyXJCBQVBVMQSYHB-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.83
Rot. Bonds1

About 7-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline

7-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline (PubChem CID 70582307) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 7-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline.

Molecular Properties

Compound Name7-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline
PubChem CID70582307
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name7-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline
SMILESCOC1=CCC2C(=C1)NC(C)(C)CC2C
InChIInChI=1S/C13H21NO/c1-9-8-13(2,3)14-12-7-10(15-4)5-6-11(9)12/h5,7,9,11,14H,6,8H2,1-4H3
InChIKeyXJCBQVBVMQSYHB-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline?
The IUPAC name of 7-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline (CID 70582307) is 7-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline.
What is the SMILES notation for 7-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline?
The canonical SMILES for 7-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline is COC1=CCC2C(=C1)NC(C)(C)CC2C.
What is the InChIKey of 7-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline?
The InChIKey is XJCBQVBVMQSYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-9-8-13(2,3)14-12-7-10(15-4)5-6-11(9)12/h5,7,9,11,14H,6,8H2,1-4H3.
What are the key properties of 7-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline?
7-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline has a molecular weight of 207.32 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline is sourced from PubChem (CID 70582307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).