(3-hydroxy-5-methyl-4-oxo-5-quinolin-4-ylfuran-2-yl)carbamic acid

C15H12N2O5 — CID 151957017

IUPAC(3-hydroxy-5-methyl-4-oxo-5-quinolin-4-ylfuran-2-yl)carbamic acid
SMILESCC1(c2ccnc3ccccc23)OC(NC(=O)O)=C(O)C1=O
InChIInChI=1S/C15H12N2O5/c1-15(12(19)11(18)13(22-15)17-14(20)21)9-6-7-16-10-5-3-2-4-8(9)10/h2-7,17-18H,1H3,(H,20,21)
InChIKeyTXVURSGMMVYMAC-UHFFFAOYSA-N
MW300.27 g/mol
LogP2.04
Rot. Bonds2

About (3-hydroxy-5-methyl-4-oxo-5-quinolin-4-ylfuran-2-yl)carbamic acid

(3-hydroxy-5-methyl-4-oxo-5-quinolin-4-ylfuran-2-yl)carbamic acid (PubChem CID 151957017) has the molecular formula C15H12N2O5 and a molecular weight of 300.27 g/mol. Its IUPAC name is (3-hydroxy-5-methyl-4-oxo-5-quinolin-4-ylfuran-2-yl)carbamic acid.

Molecular Properties

Compound Name(3-hydroxy-5-methyl-4-oxo-5-quinolin-4-ylfuran-2-yl)carbamic acid
PubChem CID151957017
Molecular FormulaC15H12N2O5
Molecular Weight300.27 g/mol
Exact Mass300.07
IUPAC Name(3-hydroxy-5-methyl-4-oxo-5-quinolin-4-ylfuran-2-yl)carbamic acid
SMILESCC1(c2ccnc3ccccc23)OC(NC(=O)O)=C(O)C1=O
InChIInChI=1S/C15H12N2O5/c1-15(12(19)11(18)13(22-15)17-14(20)21)9-6-7-16-10-5-3-2-4-8(9)10/h2-7,17-18H,1H3,(H,20,21)
InChIKeyTXVURSGMMVYMAC-UHFFFAOYSA-N
XLogP2.04
TPSA108.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-5-methyl-4-oxo-5-quinolin-4-ylfuran-2-yl)carbamic acid?
The IUPAC name of (3-hydroxy-5-methyl-4-oxo-5-quinolin-4-ylfuran-2-yl)carbamic acid (CID 151957017) is (3-hydroxy-5-methyl-4-oxo-5-quinolin-4-ylfuran-2-yl)carbamic acid.
What is the SMILES notation for (3-hydroxy-5-methyl-4-oxo-5-quinolin-4-ylfuran-2-yl)carbamic acid?
The canonical SMILES for (3-hydroxy-5-methyl-4-oxo-5-quinolin-4-ylfuran-2-yl)carbamic acid is CC1(c2ccnc3ccccc23)OC(NC(=O)O)=C(O)C1=O.
What is the InChIKey of (3-hydroxy-5-methyl-4-oxo-5-quinolin-4-ylfuran-2-yl)carbamic acid?
The InChIKey is TXVURSGMMVYMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O5/c1-15(12(19)11(18)13(22-15)17-14(20)21)9-6-7-16-10-5-3-2-4-8(9)10/h2-7,17-18H,1H3,(H,20,21).
What are the key properties of (3-hydroxy-5-methyl-4-oxo-5-quinolin-4-ylfuran-2-yl)carbamic acid?
(3-hydroxy-5-methyl-4-oxo-5-quinolin-4-ylfuran-2-yl)carbamic acid has a molecular weight of 300.27 g/mol, XLogP of 2.04, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-5-methyl-4-oxo-5-quinolin-4-ylfuran-2-yl)carbamic acid is sourced from PubChem (CID 151957017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).