methyl 4-amino-7-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate

C11H14N2O3 — CID 83838643

IUPACmethyl 4-amino-7-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCOC(=O)N1CCC(N)c2ccc(O)cc21
InChIInChI=1S/C11H14N2O3/c1-16-11(15)13-5-4-9(12)8-3-2-7(14)6-10(8)13/h2-3,6,9,14H,4-5,12H2,1H3
InChIKeyNWCXYUZLSCQSBI-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.37
Rot. Bonds

About methyl 4-amino-7-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate

methyl 4-amino-7-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate (PubChem CID 83838643) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is methyl 4-amino-7-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-7-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate
PubChem CID83838643
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Namemethyl 4-amino-7-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCOC(=O)N1CCC(N)c2ccc(O)cc21
InChIInChI=1S/C11H14N2O3/c1-16-11(15)13-5-4-9(12)8-3-2-7(14)6-10(8)13/h2-3,6,9,14H,4-5,12H2,1H3
InChIKeyNWCXYUZLSCQSBI-UHFFFAOYSA-N
XLogP1.37
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-7-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate?
The IUPAC name of methyl 4-amino-7-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate (CID 83838643) is methyl 4-amino-7-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate.
What is the SMILES notation for methyl 4-amino-7-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate?
The canonical SMILES for methyl 4-amino-7-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate is COC(=O)N1CCC(N)c2ccc(O)cc21.
What is the InChIKey of methyl 4-amino-7-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate?
The InChIKey is NWCXYUZLSCQSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-16-11(15)13-5-4-9(12)8-3-2-7(14)6-10(8)13/h2-3,6,9,14H,4-5,12H2,1H3.
What are the key properties of methyl 4-amino-7-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate?
methyl 4-amino-7-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate has a molecular weight of 222.24 g/mol, XLogP of 1.37, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-7-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate is sourced from PubChem (CID 83838643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).