methyl 2-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]benzoate

C23H18N2O4 — CID 1221258

IUPACmethyl 2-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(C)o2)nc2ccccc12
InChIInChI=1S/C23H18N2O4/c1-14-11-12-21(29-14)20-13-17(15-7-3-5-9-18(15)24-20)22(26)25-19-10-6-4-8-16(19)23(27)28-2/h3-13H,1-2H3,(H,25,26)
InChIKeyZAYDPJWLFSASGJ-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.84
Rot. Bonds4

About methyl 2-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]benzoate

methyl 2-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]benzoate (PubChem CID 1221258) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is methyl 2-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]benzoate
PubChem CID1221258
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Namemethyl 2-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(C)o2)nc2ccccc12
InChIInChI=1S/C23H18N2O4/c1-14-11-12-21(29-14)20-13-17(15-7-3-5-9-18(15)24-20)22(26)25-19-10-6-4-8-16(19)23(27)28-2/h3-13H,1-2H3,(H,25,26)
InChIKeyZAYDPJWLFSASGJ-UHFFFAOYSA-N
XLogP4.84
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]benzoate with MolForge

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Related Compounds

dimethyl 2-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]benzene-1,4-dicarboxylate
CID 1222132
N-(3,5-dimethylphenyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 1222302
methyl 2-[[2-(2-methoxyphenyl)quinoline-4-carbonyl]amino]benzoate
CID 1012430
N-ethoxy-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 18168945
ethyl 2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]benzoate
CID 1222332
[2-(2-methoxyanilino)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 4801663
methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate
CID 3554814
2-(5-methylfuran-2-yl)-N-[7-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]heptyl]quinoline-4-carboxamide
CID 4639931
2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 913140
N-[4-(diethylamino)phenyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 3408470
2-(5-methylfuran-2-yl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide
CID 1221741
2-(5-methylfuran-2-yl)-N-(2-methylpropyl)quinoline-4-carboxamide
CID 3421567

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]benzoate (CID 1221258) is methyl 2-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(C)o2)nc2ccccc12.
What is the InChIKey of methyl 2-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]benzoate?
The InChIKey is ZAYDPJWLFSASGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4/c1-14-11-12-21(29-14)20-13-17(15-7-3-5-9-18(15)24-20)22(26)25-19-10-6-4-8-16(19)23(27)28-2/h3-13H,1-2H3,(H,25,26).
What are the key properties of methyl 2-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]benzoate?
methyl 2-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]benzoate has a molecular weight of 386.41 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]benzoate is sourced from PubChem (CID 1221258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).