methyl 4-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methylamino]-4-oxobutanoate

C17H20N2O4 — CID 110662689

IUPACmethyl 4-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methylamino]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)NCc1cc2cc(C)c(C)cc2[nH]c1=O
InChIInChI=1S/C17H20N2O4/c1-10-6-12-8-13(17(22)19-14(12)7-11(10)2)9-18-15(20)4-5-16(21)23-3/h6-8H,4-5,9H2,1-3H3,(H,18,20)(H,19,22)
InChIKeyKZVZEVLCWLZNRF-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.71
Rot. Bonds5

About methyl 4-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methylamino]-4-oxobutanoate

methyl 4-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methylamino]-4-oxobutanoate (PubChem CID 110662689) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is methyl 4-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methylamino]-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methylamino]-4-oxobutanoate
PubChem CID110662689
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Namemethyl 4-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methylamino]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)NCc1cc2cc(C)c(C)cc2[nH]c1=O
InChIInChI=1S/C17H20N2O4/c1-10-6-12-8-13(17(22)19-14(12)7-11(10)2)9-18-15(20)4-5-16(21)23-3/h6-8H,4-5,9H2,1-3H3,(H,18,20)(H,19,22)
InChIKeyKZVZEVLCWLZNRF-UHFFFAOYSA-N
XLogP1.71
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 4-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methylamino]-4-oxobutanoate with MolForge

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Related Compounds

N-benzyl-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331627
N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110324982
3-(ethylaminomethyl)-6,7-dimethyl-1H-quinolin-2-one
CID 23009284
3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 110331634
N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110608950
3-(1,3-benzodioxol-5-yl)-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110608974
2-cyclopropyl-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110608956
N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-(2-fluorophenoxy)acetamide
CID 110662696
N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide
CID 84510401
3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-prop-2-enylpropanamide
CID 110331606
N-[2-(dimethylamino)ethyl]-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331619
(E)-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)but-2-enamide
CID 110616738

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methylamino]-4-oxobutanoate?
The IUPAC name of methyl 4-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methylamino]-4-oxobutanoate (CID 110662689) is methyl 4-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methylamino]-4-oxobutanoate.
What is the SMILES notation for methyl 4-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methylamino]-4-oxobutanoate?
The canonical SMILES for methyl 4-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methylamino]-4-oxobutanoate is COC(=O)CCC(=O)NCc1cc2cc(C)c(C)cc2[nH]c1=O.
What is the InChIKey of methyl 4-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methylamino]-4-oxobutanoate?
The InChIKey is KZVZEVLCWLZNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-10-6-12-8-13(17(22)19-14(12)7-11(10)2)9-18-15(20)4-5-16(21)23-3/h6-8H,4-5,9H2,1-3H3,(H,18,20)(H,19,22).
What are the key properties of methyl 4-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methylamino]-4-oxobutanoate?
methyl 4-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methylamino]-4-oxobutanoate has a molecular weight of 316.36 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methylamino]-4-oxobutanoate is sourced from PubChem (CID 110662689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).