2-[6-(furan-3-ylmethylamino)-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl]-N,N-dimethylacetamide

C18H23N3O3 — CID 118742487

IUPAC2-[6-(furan-3-ylmethylamino)-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1c2c(ccc1=O)CC(NCc1ccoc1)CC2
InChIInChI=1S/C18H23N3O3/c1-20(2)18(23)11-21-16-5-4-15(9-14(16)3-6-17(21)22)19-10-13-7-8-24-12-13/h3,6-8,12,15,19H,4-5,9-11H2,1-2H3
InChIKeyKVVXLXQUTNCKPA-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.18
Rot. Bonds5

About 2-[6-(furan-3-ylmethylamino)-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl]-N,N-dimethylacetamide

2-[6-(furan-3-ylmethylamino)-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl]-N,N-dimethylacetamide (PubChem CID 118742487) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[6-(furan-3-ylmethylamino)-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[6-(furan-3-ylmethylamino)-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl]-N,N-dimethylacetamide
PubChem CID118742487
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name2-[6-(furan-3-ylmethylamino)-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1c2c(ccc1=O)CC(NCc1ccoc1)CC2
InChIInChI=1S/C18H23N3O3/c1-20(2)18(23)11-21-16-5-4-15(9-14(16)3-6-17(21)22)19-10-13-7-8-24-12-13/h3,6-8,12,15,19H,4-5,9-11H2,1-2H3
InChIKeyKVVXLXQUTNCKPA-UHFFFAOYSA-N
XLogP1.18
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(furan-3-ylmethylamino)-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[6-(furan-3-ylmethylamino)-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl]-N,N-dimethylacetamide (CID 118742487) is 2-[6-(furan-3-ylmethylamino)-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[6-(furan-3-ylmethylamino)-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[6-(furan-3-ylmethylamino)-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cn1c2c(ccc1=O)CC(NCc1ccoc1)CC2.
What is the InChIKey of 2-[6-(furan-3-ylmethylamino)-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl]-N,N-dimethylacetamide?
The InChIKey is KVVXLXQUTNCKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-20(2)18(23)11-21-16-5-4-15(9-14(16)3-6-17(21)22)19-10-13-7-8-24-12-13/h3,6-8,12,15,19H,4-5,9-11H2,1-2H3.
What are the key properties of 2-[6-(furan-3-ylmethylamino)-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl]-N,N-dimethylacetamide?
2-[6-(furan-3-ylmethylamino)-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl]-N,N-dimethylacetamide has a molecular weight of 329.40 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(furan-3-ylmethylamino)-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 118742487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).