6-amino-7-[2-hydroxyethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one

C12H17N3O2 — CID 43455612

IUPAC6-amino-7-[2-hydroxyethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCN(CCO)c1cc2c(cc1N)CCC(=O)N2
InChIInChI=1S/C12H17N3O2/c1-15(4-5-16)11-7-10-8(6-9(11)13)2-3-12(17)14-10/h6-7,16H,2-5,13H2,1H3,(H,14,17)
InChIKeyWTMZDZZTKSZOCV-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.58
Rot. Bonds3

About 6-amino-7-[2-hydroxyethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one

6-amino-7-[2-hydroxyethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43455612) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 6-amino-7-[2-hydroxyethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-amino-7-[2-hydroxyethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID43455612
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name6-amino-7-[2-hydroxyethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCN(CCO)c1cc2c(cc1N)CCC(=O)N2
InChIInChI=1S/C12H17N3O2/c1-15(4-5-16)11-7-10-8(6-9(11)13)2-3-12(17)14-10/h6-7,16H,2-5,13H2,1H3,(H,14,17)
InChIKeyWTMZDZZTKSZOCV-UHFFFAOYSA-N
XLogP0.58
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-amino-7-[methyl(2-methylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 43383607
6-amino-7-(diethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455478
5-amino-6-[2-(dimethylamino)ethyl-methylamino]-1,3-dihydroindol-2-one
CID 63694273
6-amino-7-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-3,4-dihydro-1H-quinolin-2-one
CID 63014635
6-amino-7-[methyl(thiolan-3-yl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 43455627
6-amino-7-[3-(dimethylamino)propylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43455538
7-amino-6-[bis(2-methoxyethyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 43587943
6-amino-7-(1-hydroxypropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43498917
5-amino-6-[methyl(2-propan-2-yloxyethyl)amino]-1,3-dihydroindol-2-one
CID 81059680
7-amino-6-[butyl(ethyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 43449753
6-amino-7-[(1,1-dioxothiolan-3-yl)-methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43648549
3-[methyl-(6-nitro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]propanoic acid
CID 122059567

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-[2-hydroxyethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-amino-7-[2-hydroxyethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one (CID 43455612) is 6-amino-7-[2-hydroxyethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-amino-7-[2-hydroxyethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-amino-7-[2-hydroxyethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one is CN(CCO)c1cc2c(cc1N)CCC(=O)N2.
What is the InChIKey of 6-amino-7-[2-hydroxyethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is WTMZDZZTKSZOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-15(4-5-16)11-7-10-8(6-9(11)13)2-3-12(17)14-10/h6-7,16H,2-5,13H2,1H3,(H,14,17).
What are the key properties of 6-amino-7-[2-hydroxyethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one?
6-amino-7-[2-hydroxyethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 235.29 g/mol, XLogP of 0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-[2-hydroxyethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43455612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).