5-[2-(3,4-dichlorophenyl)ethylamino]-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-2-one

C20H22Cl2N2O — CID 10407222

IUPAC5-[2-(3,4-dichlorophenyl)ethylamino]-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-2-one
SMILESC=CCn1c2c(ccc1=O)C(NCCc1ccc(Cl)c(Cl)c1)CCC2
InChIInChI=1S/C20H22Cl2N2O/c1-2-12-24-19-5-3-4-18(15(19)7-9-20(24)25)23-11-10-14-6-8-16(21)17(22)13-14/h2,6-9,13,18,23H,1,3-5,10-12H2
InChIKeyMRYNXLDJVQYENB-UHFFFAOYSA-N
MW377.32 g/mol
LogP4.55
Rot. Bonds6

About 5-[2-(3,4-dichlorophenyl)ethylamino]-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-2-one

5-[2-(3,4-dichlorophenyl)ethylamino]-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 10407222) has the molecular formula C20H22Cl2N2O and a molecular weight of 377.32 g/mol. Its IUPAC name is 5-[2-(3,4-dichlorophenyl)ethylamino]-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name5-[2-(3,4-dichlorophenyl)ethylamino]-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID10407222
Molecular FormulaC20H22Cl2N2O
Molecular Weight377.32 g/mol
Exact Mass376.11
IUPAC Name5-[2-(3,4-dichlorophenyl)ethylamino]-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-2-one
SMILESC=CCn1c2c(ccc1=O)C(NCCc1ccc(Cl)c(Cl)c1)CCC2
InChIInChI=1S/C20H22Cl2N2O/c1-2-12-24-19-5-3-4-18(15(19)7-9-20(24)25)23-11-10-14-6-8-16(21)17(22)13-14/h2,6-9,13,18,23H,1,3-5,10-12H2
InChIKeyMRYNXLDJVQYENB-UHFFFAOYSA-N
XLogP4.55
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,4-dichlorophenyl)ethylamino]-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 5-[2-(3,4-dichlorophenyl)ethylamino]-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-2-one (CID 10407222) is 5-[2-(3,4-dichlorophenyl)ethylamino]-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 5-[2-(3,4-dichlorophenyl)ethylamino]-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 5-[2-(3,4-dichlorophenyl)ethylamino]-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-2-one is C=CCn1c2c(ccc1=O)C(NCCc1ccc(Cl)c(Cl)c1)CCC2.
What is the InChIKey of 5-[2-(3,4-dichlorophenyl)ethylamino]-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is MRYNXLDJVQYENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O/c1-2-12-24-19-5-3-4-18(15(19)7-9-20(24)25)23-11-10-14-6-8-16(21)17(22)13-14/h2,6-9,13,18,23H,1,3-5,10-12H2.
What are the key properties of 5-[2-(3,4-dichlorophenyl)ethylamino]-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-2-one?
5-[2-(3,4-dichlorophenyl)ethylamino]-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 377.32 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,4-dichlorophenyl)ethylamino]-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 10407222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).