6-[2-[[3-amino-2-(methyliminomethyl)prop-2-enyl]-methylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one

C17H24N4O2 — CID 174012016

IUPAC6-[2-[[3-amino-2-(methyliminomethyl)prop-2-enyl]-methylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESC/N=C/C(=CN)CN(C)CCOc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C17H24N4O2/c1-19-11-13(10-18)12-21(2)7-8-23-15-4-5-16-14(9-15)3-6-17(22)20-16/h4-5,9-11H,3,6-8,12,18H2,1-2H3,(H,20,22)/b13-10?,19-11+
InChIKeyVAVOMCKOBDQKIL-ADZAVRFOSA-N
MW316.41 g/mol
LogP1.43
Rot. Bonds7

About 6-[2-[[3-amino-2-(methyliminomethyl)prop-2-enyl]-methylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one

6-[2-[[3-amino-2-(methyliminomethyl)prop-2-enyl]-methylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 174012016) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 6-[2-[[3-amino-2-(methyliminomethyl)prop-2-enyl]-methylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-[[3-amino-2-(methyliminomethyl)prop-2-enyl]-methylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID174012016
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name6-[2-[[3-amino-2-(methyliminomethyl)prop-2-enyl]-methylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESC/N=C/C(=CN)CN(C)CCOc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C17H24N4O2/c1-19-11-13(10-18)12-21(2)7-8-23-15-4-5-16-14(9-15)3-6-17(22)20-16/h4-5,9-11H,3,6-8,12,18H2,1-2H3,(H,20,22)/b13-10?,19-11+
InChIKeyVAVOMCKOBDQKIL-ADZAVRFOSA-N
XLogP1.43
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-pentoxy-3,4-dihydro-1H-quinolin-2-one
CID 42598028
6-(3-methyl-2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 79395861
N-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(2-phenoxyethyl)butanamide
CID 31905955
5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]pentanehydrazide
CID 63576665
N-hydroxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 86580849
methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 13109798
methyl 2-amino-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 63039322
6-(4-methylsulfanyliminobutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 173420924
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8797974
N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 31641805
2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-1-propan-2-ylguanidine
CID 111057784
3,3-dimethylbutyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 78858511

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[3-amino-2-(methyliminomethyl)prop-2-enyl]-methylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-[[3-amino-2-(methyliminomethyl)prop-2-enyl]-methylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one (CID 174012016) is 6-[2-[[3-amino-2-(methyliminomethyl)prop-2-enyl]-methylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-[[3-amino-2-(methyliminomethyl)prop-2-enyl]-methylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-[[3-amino-2-(methyliminomethyl)prop-2-enyl]-methylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one is C/N=C/C(=CN)CN(C)CCOc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-[2-[[3-amino-2-(methyliminomethyl)prop-2-enyl]-methylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is VAVOMCKOBDQKIL-ADZAVRFOSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-19-11-13(10-18)12-21(2)7-8-23-15-4-5-16-14(9-15)3-6-17(22)20-16/h4-5,9-11H,3,6-8,12,18H2,1-2H3,(H,20,22)/b13-10?,19-11+.
What are the key properties of 6-[2-[[3-amino-2-(methyliminomethyl)prop-2-enyl]-methylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one?
6-[2-[[3-amino-2-(methyliminomethyl)prop-2-enyl]-methylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 316.41 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[3-amino-2-(methyliminomethyl)prop-2-enyl]-methylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 174012016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).