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

C19H25N3O — CID 10064055

IUPAC1-propyl-5-(2-pyridin-2-ylethylamino)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCCCn1c2c(ccc1=O)C(NCCc1ccccn1)CCC2
InChIInChI=1S/C19H25N3O/c1-2-14-22-18-8-5-7-17(16(18)9-10-19(22)23)21-13-11-15-6-3-4-12-20-15/h3-4,6,9-10,12,17,21H,2,5,7-8,11,13-14H2,1H3
InChIKeyKJHFOYUJVRLXEH-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.86
Rot. Bonds6

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

1-propyl-5-(2-pyridin-2-ylethylamino)-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 10064055) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-propyl-5-(2-pyridin-2-ylethylamino)-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name1-propyl-5-(2-pyridin-2-ylethylamino)-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID10064055
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name1-propyl-5-(2-pyridin-2-ylethylamino)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCCCn1c2c(ccc1=O)C(NCCc1ccccn1)CCC2
InChIInChI=1S/C19H25N3O/c1-2-14-22-18-8-5-7-17(16(18)9-10-19(22)23)21-13-11-15-6-3-4-12-20-15/h3-4,6,9-10,12,17,21H,2,5,7-8,11,13-14H2,1H3
InChIKeyKJHFOYUJVRLXEH-UHFFFAOYSA-N
XLogP2.86
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-5-(2-pyridin-2-ylethylamino)-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 1-propyl-5-(2-pyridin-2-ylethylamino)-5,6,7,8-tetrahydroquinolin-2-one (CID 10064055) is 1-propyl-5-(2-pyridin-2-ylethylamino)-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 1-propyl-5-(2-pyridin-2-ylethylamino)-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 1-propyl-5-(2-pyridin-2-ylethylamino)-5,6,7,8-tetrahydroquinolin-2-one is CCCn1c2c(ccc1=O)C(NCCc1ccccn1)CCC2.
What is the InChIKey of 1-propyl-5-(2-pyridin-2-ylethylamino)-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is KJHFOYUJVRLXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-2-14-22-18-8-5-7-17(16(18)9-10-19(22)23)21-13-11-15-6-3-4-12-20-15/h3-4,6,9-10,12,17,21H,2,5,7-8,11,13-14H2,1H3.
What are the key properties of 1-propyl-5-(2-pyridin-2-ylethylamino)-5,6,7,8-tetrahydroquinolin-2-one?
1-propyl-5-(2-pyridin-2-ylethylamino)-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 311.43 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-5-(2-pyridin-2-ylethylamino)-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 10064055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).