N-ethyl-N-(oxolan-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide

C17H24N2O2 — CID 106901310

IUPACN-ethyl-N-(oxolan-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESCCN(CC1CCOC1)C(=O)C1CNc2ccccc2C1
InChIInChI=1S/C17H24N2O2/c1-2-19(11-13-7-8-21-12-13)17(20)15-9-14-5-3-4-6-16(14)18-10-15/h3-6,13,15,18H,2,7-12H2,1H3
InChIKeyYIYSCTFPOHFYKL-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.16
Rot. Bonds4

About N-ethyl-N-(oxolan-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide

N-ethyl-N-(oxolan-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide (PubChem CID 106901310) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-ethyl-N-(oxolan-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(oxolan-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
PubChem CID106901310
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-ethyl-N-(oxolan-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESCCN(CC1CCOC1)C(=O)C1CNc2ccccc2C1
InChIInChI=1S/C17H24N2O2/c1-2-19(11-13-7-8-21-12-13)17(20)15-9-14-5-3-4-6-16(14)18-10-15/h3-6,13,15,18H,2,7-12H2,1H3
InChIKeyYIYSCTFPOHFYKL-UHFFFAOYSA-N
XLogP2.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(oxolan-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-ethyl-N-(oxolan-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide (CID 106901310) is N-ethyl-N-(oxolan-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(oxolan-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-ethyl-N-(oxolan-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide is CCN(CC1CCOC1)C(=O)C1CNc2ccccc2C1.
What is the InChIKey of N-ethyl-N-(oxolan-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The InChIKey is YIYSCTFPOHFYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-2-19(11-13-7-8-21-12-13)17(20)15-9-14-5-3-4-6-16(14)18-10-15/h3-6,13,15,18H,2,7-12H2,1H3.
What are the key properties of N-ethyl-N-(oxolan-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
N-ethyl-N-(oxolan-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(oxolan-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 106901310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).