5-amino-1-[(5-chlorothiophen-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-2-one

C14H15ClN2OS — CID 81104699

IUPAC5-amino-1-[(5-chlorothiophen-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-2-one
SMILESNC1CCCc2c1ccc(=O)n2Cc1ccc(Cl)s1
InChIInChI=1S/C14H15ClN2OS/c15-13-6-4-9(19-13)8-17-12-3-1-2-11(16)10(12)5-7-14(17)18/h4-7,11H,1-3,8,16H2
InChIKeyICIYXJOJPMPJAS-UHFFFAOYSA-N
MW294.81 g/mol
LogP2.95
Rot. Bonds2

About 5-amino-1-[(5-chlorothiophen-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-2-one

5-amino-1-[(5-chlorothiophen-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 81104699) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is 5-amino-1-[(5-chlorothiophen-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name5-amino-1-[(5-chlorothiophen-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID81104699
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC Name5-amino-1-[(5-chlorothiophen-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-2-one
SMILESNC1CCCc2c1ccc(=O)n2Cc1ccc(Cl)s1
InChIInChI=1S/C14H15ClN2OS/c15-13-6-4-9(19-13)8-17-12-3-1-2-11(16)10(12)5-7-14(17)18/h4-7,11H,1-3,8,16H2
InChIKeyICIYXJOJPMPJAS-UHFFFAOYSA-N
XLogP2.95
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(5-chlorothiophen-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 5-amino-1-[(5-chlorothiophen-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-2-one (CID 81104699) is 5-amino-1-[(5-chlorothiophen-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 5-amino-1-[(5-chlorothiophen-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 5-amino-1-[(5-chlorothiophen-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-2-one is NC1CCCc2c1ccc(=O)n2Cc1ccc(Cl)s1.
What is the InChIKey of 5-amino-1-[(5-chlorothiophen-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is ICIYXJOJPMPJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c15-13-6-4-9(19-13)8-17-12-3-1-2-11(16)10(12)5-7-14(17)18/h4-7,11H,1-3,8,16H2.
What are the key properties of 5-amino-1-[(5-chlorothiophen-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-2-one?
5-amino-1-[(5-chlorothiophen-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 294.81 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(5-chlorothiophen-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 81104699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).