methyl 2-[3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate

C21H20N2O5 — CID 110424012

IUPACmethyl 2-[3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CCc1cc2cc(OC)ccc2[nH]c1=O
InChIInChI=1S/C21H20N2O5/c1-27-15-8-9-17-14(12-15)11-13(20(25)23-17)7-10-19(24)22-18-6-4-3-5-16(18)21(26)28-2/h3-6,8-9,11-12H,7,10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeySKTNNJQFDYFKQZ-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.89
Rot. Bonds6

About methyl 2-[3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate

methyl 2-[3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate (PubChem CID 110424012) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is methyl 2-[3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate
PubChem CID110424012
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Namemethyl 2-[3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CCc1cc2cc(OC)ccc2[nH]c1=O
InChIInChI=1S/C21H20N2O5/c1-27-15-8-9-17-14(12-15)11-13(20(25)23-17)7-10-19(24)22-18-6-4-3-5-16(18)21(26)28-2/h3-6,8-9,11-12H,7,10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeySKTNNJQFDYFKQZ-UHFFFAOYSA-N
XLogP2.89
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate with MolForge

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Related Compounds

N-(3-chloro-2-methylphenyl)-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331330
N-(2,6-difluorophenyl)-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110428860
N-(3,5-dimethylphenyl)-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331323
3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(3-oxo-4H-1,4-benzoxazin-8-yl)propanamide
CID 110630241
methyl 2-[[cyclopentyl-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate
CID 1142078
3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 110331339
N-[(2-fluorophenyl)methyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331295
methyl 2-[[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(oxolan-2-ylmethyl)carbamothioyl]amino]benzoate
CID 3174199
methyl 2-[[2-(dimethylamino)ethyl-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate
CID 1142115
methyl 2-chloro-5-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate
CID 110354113
3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(2-propan-2-yloxyethyl)propanamide
CID 110418808
3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
CID 110608005

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate?
The IUPAC name of methyl 2-[3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate (CID 110424012) is methyl 2-[3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate.
What is the SMILES notation for methyl 2-[3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate?
The canonical SMILES for methyl 2-[3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate is COC(=O)c1ccccc1NC(=O)CCc1cc2cc(OC)ccc2[nH]c1=O.
What is the InChIKey of methyl 2-[3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate?
The InChIKey is SKTNNJQFDYFKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5/c1-27-15-8-9-17-14(12-15)11-13(20(25)23-17)7-10-19(24)22-18-6-4-3-5-16(18)21(26)28-2/h3-6,8-9,11-12H,7,10H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of methyl 2-[3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate?
methyl 2-[3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate has a molecular weight of 380.40 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate is sourced from PubChem (CID 110424012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).