N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-thiophen-3-ylacetamide

C19H22N2O2S — CID 118738997

IUPACN-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NC1CCc2c(ccc(=O)n2CC2CC2)C1
InChIInChI=1S/C19H22N2O2S/c22-18(9-14-7-8-24-12-14)20-16-4-5-17-15(10-16)3-6-19(23)21(17)11-13-1-2-13/h3,6-8,12-13,16H,1-2,4-5,9-11H2,(H,20,22)
InChIKeySPDMINZWINMNKB-UHFFFAOYSA-N
MW342.46 g/mol
LogP2.54
Rot. Bonds5

About N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-thiophen-3-ylacetamide

N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-thiophen-3-ylacetamide (PubChem CID 118738997) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-thiophen-3-ylacetamide
PubChem CID118738997
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC NameN-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NC1CCc2c(ccc(=O)n2CC2CC2)C1
InChIInChI=1S/C19H22N2O2S/c22-18(9-14-7-8-24-12-14)20-16-4-5-17-15(10-16)3-6-19(23)21(17)11-13-1-2-13/h3,6-8,12-13,16H,1-2,4-5,9-11H2,(H,20,22)
InChIKeySPDMINZWINMNKB-UHFFFAOYSA-N
XLogP2.54
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-thiophen-3-ylacetamide (CID 118738997) is N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)NC1CCc2c(ccc(=O)n2CC2CC2)C1.
What is the InChIKey of N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-thiophen-3-ylacetamide?
The InChIKey is SPDMINZWINMNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c22-18(9-14-7-8-24-12-14)20-16-4-5-17-15(10-16)3-6-19(23)21(17)11-13-1-2-13/h3,6-8,12-13,16H,1-2,4-5,9-11H2,(H,20,22).
What are the key properties of N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-thiophen-3-ylacetamide?
N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-thiophen-3-ylacetamide has a molecular weight of 342.46 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 118738997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).