methyl 4-amino-2-oxo-1H-quinoline-3-carboxylate

C11H10N2O3 — CID 658173

IUPACmethyl 4-amino-2-oxo-1H-quinoline-3-carboxylate
SMILESCOC(=O)c1c(N)c2ccccc2[nH]c1=O
InChIInChI=1S/C11H10N2O3/c1-16-11(15)8-9(12)6-4-2-3-5-7(6)13-10(8)14/h2-5H,1H3,(H3,12,13,14)
InChIKeySFDOHYBYVRFLCE-UHFFFAOYSA-N
MW218.21 g/mol
LogP0.90
Rot. Bonds1

About methyl 4-amino-2-oxo-1H-quinoline-3-carboxylate

methyl 4-amino-2-oxo-1H-quinoline-3-carboxylate (PubChem CID 658173) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is methyl 4-amino-2-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-2-oxo-1H-quinoline-3-carboxylate
PubChem CID658173
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Namemethyl 4-amino-2-oxo-1H-quinoline-3-carboxylate
SMILESCOC(=O)c1c(N)c2ccccc2[nH]c1=O
InChIInChI=1S/C11H10N2O3/c1-16-11(15)8-9(12)6-4-2-3-5-7(6)13-10(8)14/h2-5H,1H3,(H3,12,13,14)
InChIKeySFDOHYBYVRFLCE-UHFFFAOYSA-N
XLogP0.90
TPSA85.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of methyl 4-amino-2-oxo-1H-quinoline-3-carboxylate (CID 658173) is methyl 4-amino-2-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for methyl 4-amino-2-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for methyl 4-amino-2-oxo-1H-quinoline-3-carboxylate is COC(=O)c1c(N)c2ccccc2[nH]c1=O.
What is the InChIKey of methyl 4-amino-2-oxo-1H-quinoline-3-carboxylate?
The InChIKey is SFDOHYBYVRFLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-16-11(15)8-9(12)6-4-2-3-5-7(6)13-10(8)14/h2-5H,1H3,(H3,12,13,14).
What are the key properties of methyl 4-amino-2-oxo-1H-quinoline-3-carboxylate?
methyl 4-amino-2-oxo-1H-quinoline-3-carboxylate has a molecular weight of 218.21 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 658173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).