2-(2-methylpropoxy)-5,6,7,8-tetrahydroquinoline-3-carboxamide

C14H20N2O2 — CID 3075007

IUPAC2-(2-methylpropoxy)-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCC(C)COc1nc2c(cc1C(N)=O)CCCC2
InChIInChI=1S/C14H20N2O2/c1-9(2)8-18-14-11(13(15)17)7-10-5-3-4-6-12(10)16-14/h7,9H,3-6,8H2,1-2H3,(H2,15,17)
InChIKeyISYGCRPSLLZAFQ-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.09
Rot. Bonds4

About 2-(2-methylpropoxy)-5,6,7,8-tetrahydroquinoline-3-carboxamide

2-(2-methylpropoxy)-5,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 3075007) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(2-methylpropoxy)-5,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name2-(2-methylpropoxy)-5,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID3075007
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(2-methylpropoxy)-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCC(C)COc1nc2c(cc1C(N)=O)CCCC2
InChIInChI=1S/C14H20N2O2/c1-9(2)8-18-14-11(13(15)17)7-10-5-3-4-6-12(10)16-14/h7,9H,3-6,8H2,1-2H3,(H2,15,17)
InChIKeyISYGCRPSLLZAFQ-UHFFFAOYSA-N
XLogP2.09
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of 2-(2-methylpropoxy)-5,6,7,8-tetrahydroquinoline-3-carboxamide (CID 3075007) is 2-(2-methylpropoxy)-5,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for 2-(2-methylpropoxy)-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for 2-(2-methylpropoxy)-5,6,7,8-tetrahydroquinoline-3-carboxamide is CC(C)COc1nc2c(cc1C(N)=O)CCCC2.
What is the InChIKey of 2-(2-methylpropoxy)-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is ISYGCRPSLLZAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9(2)8-18-14-11(13(15)17)7-10-5-3-4-6-12(10)16-14/h7,9H,3-6,8H2,1-2H3,(H2,15,17).
What are the key properties of 2-(2-methylpropoxy)-5,6,7,8-tetrahydroquinoline-3-carboxamide?
2-(2-methylpropoxy)-5,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)-5,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 3075007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).