4-(4-methoxybutan-2-yl)-1,2,3,4-tetrahydroquinoline

C14H21NO — CID 106781291

IUPAC4-(4-methoxybutan-2-yl)-1,2,3,4-tetrahydroquinoline
SMILESCOCCC(C)C1CCNc2ccccc21
InChIInChI=1S/C14H21NO/c1-11(8-10-16-2)12-7-9-15-14-6-4-3-5-13(12)14/h3-6,11-12,15H,7-10H2,1-2H3
InChIKeySQUYRNYWCZXPCO-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.26
Rot. Bonds4

About 4-(4-methoxybutan-2-yl)-1,2,3,4-tetrahydroquinoline

4-(4-methoxybutan-2-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 106781291) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-(4-methoxybutan-2-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name4-(4-methoxybutan-2-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID106781291
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4-(4-methoxybutan-2-yl)-1,2,3,4-tetrahydroquinoline
SMILESCOCCC(C)C1CCNc2ccccc21
InChIInChI=1S/C14H21NO/c1-11(8-10-16-2)12-7-9-15-14-6-4-3-5-13(12)14/h3-6,11-12,15H,7-10H2,1-2H3
InChIKeySQUYRNYWCZXPCO-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxybutan-2-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 4-(4-methoxybutan-2-yl)-1,2,3,4-tetrahydroquinoline (CID 106781291) is 4-(4-methoxybutan-2-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 4-(4-methoxybutan-2-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 4-(4-methoxybutan-2-yl)-1,2,3,4-tetrahydroquinoline is COCCC(C)C1CCNc2ccccc21.
What is the InChIKey of 4-(4-methoxybutan-2-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is SQUYRNYWCZXPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11(8-10-16-2)12-7-9-15-14-6-4-3-5-13(12)14/h3-6,11-12,15H,7-10H2,1-2H3.
What are the key properties of 4-(4-methoxybutan-2-yl)-1,2,3,4-tetrahydroquinoline?
4-(4-methoxybutan-2-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 219.33 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxybutan-2-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106781291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).