6-amino-7-[ethyl(furan-2-ylmethyl)amino]-3,4-dihydro-1H-quinolin-2-one

C16H19N3O2 — CID 61423702

IUPAC6-amino-7-[ethyl(furan-2-ylmethyl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCCN(Cc1ccco1)c1cc2c(cc1N)CCC(=O)N2
InChIInChI=1S/C16H19N3O2/c1-2-19(10-12-4-3-7-21-12)15-9-14-11(8-13(15)17)5-6-16(20)18-14/h3-4,7-9H,2,5-6,10,17H2,1H3,(H,18,20)
InChIKeyXMYFYKURTKTQET-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.77
Rot. Bonds4

About 6-amino-7-[ethyl(furan-2-ylmethyl)amino]-3,4-dihydro-1H-quinolin-2-one

6-amino-7-[ethyl(furan-2-ylmethyl)amino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 61423702) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 6-amino-7-[ethyl(furan-2-ylmethyl)amino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-amino-7-[ethyl(furan-2-ylmethyl)amino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID61423702
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name6-amino-7-[ethyl(furan-2-ylmethyl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCCN(Cc1ccco1)c1cc2c(cc1N)CCC(=O)N2
InChIInChI=1S/C16H19N3O2/c1-2-19(10-12-4-3-7-21-12)15-9-14-11(8-13(15)17)5-6-16(20)18-14/h3-4,7-9H,2,5-6,10,17H2,1H3,(H,18,20)
InChIKeyXMYFYKURTKTQET-UHFFFAOYSA-N
XLogP2.77
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-amino-6-[butyl(ethyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 43449753
6-amino-5-[ethyl(furan-2-ylmethyl)amino]-3H-1,3-benzoxazol-2-one
CID 115425285
3-amino-4-[ethyl(furan-2-ylmethyl)amino]benzoic acid
CID 61421271
6-amino-7-[methyl(2-methylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 43383607
7-amino-6-[bis(2-methoxyethyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 43587943
5-amino-6-[ethyl(2-methylpropyl)amino]-1,3-dihydroindol-2-one
CID 43383177
4-amino-3-[ethyl(furan-2-ylmethyl)amino]benzonitrile
CID 104711640
6-(furan-2-ylmethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 43449810
N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 47023284
6-amino-7-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-3,4-dihydro-1H-quinolin-2-one
CID 63014635
6-amino-7-[(1,1-dioxothiolan-3-yl)-methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43648549
ethyl 5-amino-2-[ethyl(furan-2-ylmethyl)amino]benzoate
CID 61421320

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-[ethyl(furan-2-ylmethyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-amino-7-[ethyl(furan-2-ylmethyl)amino]-3,4-dihydro-1H-quinolin-2-one (CID 61423702) is 6-amino-7-[ethyl(furan-2-ylmethyl)amino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-amino-7-[ethyl(furan-2-ylmethyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-amino-7-[ethyl(furan-2-ylmethyl)amino]-3,4-dihydro-1H-quinolin-2-one is CCN(Cc1ccco1)c1cc2c(cc1N)CCC(=O)N2.
What is the InChIKey of 6-amino-7-[ethyl(furan-2-ylmethyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is XMYFYKURTKTQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-19(10-12-4-3-7-21-12)15-9-14-11(8-13(15)17)5-6-16(20)18-14/h3-4,7-9H,2,5-6,10,17H2,1H3,(H,18,20).
What are the key properties of 6-amino-7-[ethyl(furan-2-ylmethyl)amino]-3,4-dihydro-1H-quinolin-2-one?
6-amino-7-[ethyl(furan-2-ylmethyl)amino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 285.35 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-[ethyl(furan-2-ylmethyl)amino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 61423702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).