methyl 4-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)amino]-4-oxobutanoate

C15H20N2O3 — CID 110729112

IUPACmethyl 4-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)amino]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)Nc1ccc2c(c1)N(C)CCC2
InChIInChI=1S/C15H20N2O3/c1-17-9-3-4-11-5-6-12(10-13(11)17)16-14(18)7-8-15(19)20-2/h5-6,10H,3-4,7-9H2,1-2H3,(H,16,18)
InChIKeyWGRQTSBFGTWUCF-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.96
Rot. Bonds4

About methyl 4-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)amino]-4-oxobutanoate

methyl 4-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)amino]-4-oxobutanoate (PubChem CID 110729112) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl 4-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)amino]-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)amino]-4-oxobutanoate
PubChem CID110729112
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namemethyl 4-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)amino]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)Nc1ccc2c(c1)N(C)CCC2
InChIInChI=1S/C15H20N2O3/c1-17-9-3-4-11-5-6-12(10-13(11)17)16-14(18)7-8-15(19)20-2/h5-6,10H,3-4,7-9H2,1-2H3,(H,16,18)
InChIKeyWGRQTSBFGTWUCF-UHFFFAOYSA-N
XLogP1.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)amino]-4-oxobutanoate with MolForge

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Related Compounds

3,3-dimethyl-N-(1-methyl-2,3-dihydroindol-6-yl)butanamide
CID 110729245
N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)cyclobutanecarboxamide
CID 110729129
3-(2-methoxyphenyl)-N-(1-methyl-2,3-dihydroindol-6-yl)propanamide
CID 110729242
methyl 4-[(1-methyl-2-oxo-3H-indol-5-yl)amino]-4-oxobutanoate
CID 110777123
3-methoxy-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)benzamide
CID 110729116
2-methoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide
CID 16835177
1-cyclopentyl-3-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)urea
CID 110748659
2,2,2-trifluoro-N-(1-methyl-2,3-dihydroindol-6-yl)acetamide
CID 153408429
N-[(2S)-3-methyl-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)amino]-1-oxobutan-2-yl]hex-5-enamide
CID 167760325
N-ethyl-7-[3-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)amino]-3-oxopropyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 91921110
methyl 1-(2-hydroxyethyl)-4-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)amino]-5-oxo-2H-pyrrole-3-carboxylate
CID 168564788
3-(4-methoxyphenyl)-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
CID 27604553

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)amino]-4-oxobutanoate?
The IUPAC name of methyl 4-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)amino]-4-oxobutanoate (CID 110729112) is methyl 4-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)amino]-4-oxobutanoate.
What is the SMILES notation for methyl 4-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)amino]-4-oxobutanoate?
The canonical SMILES for methyl 4-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)amino]-4-oxobutanoate is COC(=O)CCC(=O)Nc1ccc2c(c1)N(C)CCC2.
What is the InChIKey of methyl 4-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)amino]-4-oxobutanoate?
The InChIKey is WGRQTSBFGTWUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-17-9-3-4-11-5-6-12(10-13(11)17)16-14(18)7-8-15(19)20-2/h5-6,10H,3-4,7-9H2,1-2H3,(H,16,18).
What are the key properties of methyl 4-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)amino]-4-oxobutanoate?
methyl 4-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)amino]-4-oxobutanoate has a molecular weight of 276.34 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)amino]-4-oxobutanoate is sourced from PubChem (CID 110729112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).