2-methyl-4-(oxolan-3-yl)-1,2,3,4-tetrahydroquinoline

C14H19NO — CID 106778974

IUPAC2-methyl-4-(oxolan-3-yl)-1,2,3,4-tetrahydroquinoline
SMILESCC1CC(C2CCOC2)c2ccccc2N1
InChIInChI=1S/C14H19NO/c1-10-8-13(11-6-7-16-9-11)12-4-2-3-5-14(12)15-10/h2-5,10-11,13,15H,6-9H2,1H3
InChIKeyJMWRPKGBNFIGAR-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.01
Rot. Bonds1

About 2-methyl-4-(oxolan-3-yl)-1,2,3,4-tetrahydroquinoline

2-methyl-4-(oxolan-3-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 106778974) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-methyl-4-(oxolan-3-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-methyl-4-(oxolan-3-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID106778974
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-methyl-4-(oxolan-3-yl)-1,2,3,4-tetrahydroquinoline
SMILESCC1CC(C2CCOC2)c2ccccc2N1
InChIInChI=1S/C14H19NO/c1-10-8-13(11-6-7-16-9-11)12-4-2-3-5-14(12)15-10/h2-5,10-11,13,15H,6-9H2,1H3
InChIKeyJMWRPKGBNFIGAR-UHFFFAOYSA-N
XLogP3.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(oxolan-3-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-methyl-4-(oxolan-3-yl)-1,2,3,4-tetrahydroquinoline (CID 106778974) is 2-methyl-4-(oxolan-3-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-methyl-4-(oxolan-3-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-methyl-4-(oxolan-3-yl)-1,2,3,4-tetrahydroquinoline is CC1CC(C2CCOC2)c2ccccc2N1.
What is the InChIKey of 2-methyl-4-(oxolan-3-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is JMWRPKGBNFIGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-10-8-13(11-6-7-16-9-11)12-4-2-3-5-14(12)15-10/h2-5,10-11,13,15H,6-9H2,1H3.
What are the key properties of 2-methyl-4-(oxolan-3-yl)-1,2,3,4-tetrahydroquinoline?
2-methyl-4-(oxolan-3-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 217.31 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(oxolan-3-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106778974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).