6-[5-[(2-ethoxyethylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one

C20H25N3O2 — CID 89439797

IUPAC6-[5-[(2-ethoxyethylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCCOCCNCc1cncc(-c2ccc3c(c2)CCC(=O)N3C)c1
InChIInChI=1S/C20H25N3O2/c1-3-25-9-8-21-12-15-10-18(14-22-13-15)16-4-6-19-17(11-16)5-7-20(24)23(19)2/h4,6,10-11,13-14,21H,3,5,7-9,12H2,1-2H3
InChIKeySATKOGJMBKDJAP-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.78
Rot. Bonds7

About 6-[5-[(2-ethoxyethylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one

6-[5-[(2-ethoxyethylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 89439797) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 6-[5-[(2-ethoxyethylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[5-[(2-ethoxyethylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID89439797
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name6-[5-[(2-ethoxyethylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCCOCCNCc1cncc(-c2ccc3c(c2)CCC(=O)N3C)c1
InChIInChI=1S/C20H25N3O2/c1-3-25-9-8-21-12-15-10-18(14-22-13-15)16-4-6-19-17(11-16)5-7-20(24)23(19)2/h4,6,10-11,13-14,21H,3,5,7-9,12H2,1-2H3
InChIKeySATKOGJMBKDJAP-UHFFFAOYSA-N
XLogP2.78
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[(2-ethoxyethylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-[5-[(2-ethoxyethylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one (CID 89439797) is 6-[5-[(2-ethoxyethylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-[5-[(2-ethoxyethylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-[5-[(2-ethoxyethylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one is CCOCCNCc1cncc(-c2ccc3c(c2)CCC(=O)N3C)c1.
What is the InChIKey of 6-[5-[(2-ethoxyethylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is SATKOGJMBKDJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-3-25-9-8-21-12-15-10-18(14-22-13-15)16-4-6-19-17(11-16)5-7-20(24)23(19)2/h4,6,10-11,13-14,21H,3,5,7-9,12H2,1-2H3.
What are the key properties of 6-[5-[(2-ethoxyethylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one?
6-[5-[(2-ethoxyethylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 339.44 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[(2-ethoxyethylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 89439797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).