6-[(4-fluorophenyl)methylamino]-1-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one

C19H23FN2O2 — CID 131647029

IUPAC6-[(4-fluorophenyl)methylamino]-1-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCOCCn1c2c(ccc1=O)CC(NCc1ccc(F)cc1)CC2
InChIInChI=1S/C19H23FN2O2/c1-24-11-10-22-18-8-7-17(12-15(18)4-9-19(22)23)21-13-14-2-5-16(20)6-3-14/h2-6,9,17,21H,7-8,10-13H2,1H3
InChIKeyOGVJHMJDYVXFAY-UHFFFAOYSA-N
MW330.40 g/mol
LogP2.28
Rot. Bonds6

About 6-[(4-fluorophenyl)methylamino]-1-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one

6-[(4-fluorophenyl)methylamino]-1-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 131647029) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methylamino]-1-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methylamino]-1-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID131647029
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name6-[(4-fluorophenyl)methylamino]-1-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCOCCn1c2c(ccc1=O)CC(NCc1ccc(F)cc1)CC2
InChIInChI=1S/C19H23FN2O2/c1-24-11-10-22-18-8-7-17(12-15(18)4-9-19(22)23)21-13-14-2-5-16(20)6-3-14/h2-6,9,17,21H,7-8,10-13H2,1H3
InChIKeyOGVJHMJDYVXFAY-UHFFFAOYSA-N
XLogP2.28
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methylamino]-1-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 6-[(4-fluorophenyl)methylamino]-1-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one (CID 131647029) is 6-[(4-fluorophenyl)methylamino]-1-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 6-[(4-fluorophenyl)methylamino]-1-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 6-[(4-fluorophenyl)methylamino]-1-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one is COCCn1c2c(ccc1=O)CC(NCc1ccc(F)cc1)CC2.
What is the InChIKey of 6-[(4-fluorophenyl)methylamino]-1-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is OGVJHMJDYVXFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-24-11-10-22-18-8-7-17(12-15(18)4-9-19(22)23)21-13-14-2-5-16(20)6-3-14/h2-6,9,17,21H,7-8,10-13H2,1H3.
What are the key properties of 6-[(4-fluorophenyl)methylamino]-1-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one?
6-[(4-fluorophenyl)methylamino]-1-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 330.40 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methylamino]-1-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 131647029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).