N-ethyl-4,5-dihydroxy-8-methyl-2-oxo-N-phenyl-1H-quinoline-3-carboxamide

C19H18N2O4 — CID 90455825

IUPACN-ethyl-4,5-dihydroxy-8-methyl-2-oxo-N-phenyl-1H-quinoline-3-carboxamide
SMILESCCN(C(=O)c1c(O)c2c(O)ccc(C)c2[nH]c1=O)c1ccccc1
InChIInChI=1S/C19H18N2O4/c1-3-21(12-7-5-4-6-8-12)19(25)15-17(23)14-13(22)10-9-11(2)16(14)20-18(15)24/h4-10,22H,3H2,1-2H3,(H2,20,23,24)
InChIKeySIDVMVNDMYXFHN-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.91
Rot. Bonds3

About N-ethyl-4,5-dihydroxy-8-methyl-2-oxo-N-phenyl-1H-quinoline-3-carboxamide

N-ethyl-4,5-dihydroxy-8-methyl-2-oxo-N-phenyl-1H-quinoline-3-carboxamide (PubChem CID 90455825) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-ethyl-4,5-dihydroxy-8-methyl-2-oxo-N-phenyl-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-4,5-dihydroxy-8-methyl-2-oxo-N-phenyl-1H-quinoline-3-carboxamide
PubChem CID90455825
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-ethyl-4,5-dihydroxy-8-methyl-2-oxo-N-phenyl-1H-quinoline-3-carboxamide
SMILESCCN(C(=O)c1c(O)c2c(O)ccc(C)c2[nH]c1=O)c1ccccc1
InChIInChI=1S/C19H18N2O4/c1-3-21(12-7-5-4-6-8-12)19(25)15-17(23)14-13(22)10-9-11(2)16(14)20-18(15)24/h4-10,22H,3H2,1-2H3,(H2,20,23,24)
InChIKeySIDVMVNDMYXFHN-UHFFFAOYSA-N
XLogP2.91
TPSA93.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,5-dihydroxy-8-methyl-2-oxo-N-phenyl-1H-quinoline-3-carboxamide?
The IUPAC name of N-ethyl-4,5-dihydroxy-8-methyl-2-oxo-N-phenyl-1H-quinoline-3-carboxamide (CID 90455825) is N-ethyl-4,5-dihydroxy-8-methyl-2-oxo-N-phenyl-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-ethyl-4,5-dihydroxy-8-methyl-2-oxo-N-phenyl-1H-quinoline-3-carboxamide?
The canonical SMILES for N-ethyl-4,5-dihydroxy-8-methyl-2-oxo-N-phenyl-1H-quinoline-3-carboxamide is CCN(C(=O)c1c(O)c2c(O)ccc(C)c2[nH]c1=O)c1ccccc1.
What is the InChIKey of N-ethyl-4,5-dihydroxy-8-methyl-2-oxo-N-phenyl-1H-quinoline-3-carboxamide?
The InChIKey is SIDVMVNDMYXFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-3-21(12-7-5-4-6-8-12)19(25)15-17(23)14-13(22)10-9-11(2)16(14)20-18(15)24/h4-10,22H,3H2,1-2H3,(H2,20,23,24).
What are the key properties of N-ethyl-4,5-dihydroxy-8-methyl-2-oxo-N-phenyl-1H-quinoline-3-carboxamide?
N-ethyl-4,5-dihydroxy-8-methyl-2-oxo-N-phenyl-1H-quinoline-3-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 2.91, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,5-dihydroxy-8-methyl-2-oxo-N-phenyl-1H-quinoline-3-carboxamide is sourced from PubChem (CID 90455825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).