5-(2-phenylethylamino)-1-propyl-5,6,7,8-tetrahydroquinolin-2-one

C20H26N2O — CID 10064003

IUPAC5-(2-phenylethylamino)-1-propyl-5,6,7,8-tetrahydroquinolin-2-one
SMILESCCCn1c2c(ccc1=O)C(NCCc1ccccc1)CCC2
InChIInChI=1S/C20H26N2O/c1-2-15-22-19-10-6-9-18(17(19)11-12-20(22)23)21-14-13-16-7-4-3-5-8-16/h3-5,7-8,11-12,18,21H,2,6,9-10,13-15H2,1H3
InChIKeyDKTMBNIKVHVBIL-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.47
Rot. Bonds6

About 5-(2-phenylethylamino)-1-propyl-5,6,7,8-tetrahydroquinolin-2-one

5-(2-phenylethylamino)-1-propyl-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 10064003) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 5-(2-phenylethylamino)-1-propyl-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name5-(2-phenylethylamino)-1-propyl-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID10064003
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name5-(2-phenylethylamino)-1-propyl-5,6,7,8-tetrahydroquinolin-2-one
SMILESCCCn1c2c(ccc1=O)C(NCCc1ccccc1)CCC2
InChIInChI=1S/C20H26N2O/c1-2-15-22-19-10-6-9-18(17(19)11-12-20(22)23)21-14-13-16-7-4-3-5-8-16/h3-5,7-8,11-12,18,21H,2,6,9-10,13-15H2,1H3
InChIKeyDKTMBNIKVHVBIL-UHFFFAOYSA-N
XLogP3.47
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylethylamino)-1-propyl-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 5-(2-phenylethylamino)-1-propyl-5,6,7,8-tetrahydroquinolin-2-one (CID 10064003) is 5-(2-phenylethylamino)-1-propyl-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 5-(2-phenylethylamino)-1-propyl-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 5-(2-phenylethylamino)-1-propyl-5,6,7,8-tetrahydroquinolin-2-one is CCCn1c2c(ccc1=O)C(NCCc1ccccc1)CCC2.
What is the InChIKey of 5-(2-phenylethylamino)-1-propyl-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is DKTMBNIKVHVBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-2-15-22-19-10-6-9-18(17(19)11-12-20(22)23)21-14-13-16-7-4-3-5-8-16/h3-5,7-8,11-12,18,21H,2,6,9-10,13-15H2,1H3.
What are the key properties of 5-(2-phenylethylamino)-1-propyl-5,6,7,8-tetrahydroquinolin-2-one?
5-(2-phenylethylamino)-1-propyl-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 310.44 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethylamino)-1-propyl-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 10064003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).