N-ethyl-4,6-dihydroxy-2-oxo-1-propoxyquinoline-3-carboxamide

C15H18N2O5 — CID 134233787

IUPACN-ethyl-4,6-dihydroxy-2-oxo-1-propoxyquinoline-3-carboxamide
SMILESCCCOn1c(=O)c(C(=O)NCC)c(O)c2cc(O)ccc21
InChIInChI=1S/C15H18N2O5/c1-3-7-22-17-11-6-5-9(18)8-10(11)13(19)12(15(17)21)14(20)16-4-2/h5-6,8,18-19H,3-4,7H2,1-2H3,(H,16,20)
InChIKeyDHNJHNSXYCDAMB-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.00
Rot. Bonds5

About N-ethyl-4,6-dihydroxy-2-oxo-1-propoxyquinoline-3-carboxamide

N-ethyl-4,6-dihydroxy-2-oxo-1-propoxyquinoline-3-carboxamide (PubChem CID 134233787) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is N-ethyl-4,6-dihydroxy-2-oxo-1-propoxyquinoline-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-4,6-dihydroxy-2-oxo-1-propoxyquinoline-3-carboxamide
PubChem CID134233787
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC NameN-ethyl-4,6-dihydroxy-2-oxo-1-propoxyquinoline-3-carboxamide
SMILESCCCOn1c(=O)c(C(=O)NCC)c(O)c2cc(O)ccc21
InChIInChI=1S/C15H18N2O5/c1-3-7-22-17-11-6-5-9(18)8-10(11)13(19)12(15(17)21)14(20)16-4-2/h5-6,8,18-19H,3-4,7H2,1-2H3,(H,16,20)
InChIKeyDHNJHNSXYCDAMB-UHFFFAOYSA-N
XLogP1.00
TPSA100.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,6-dihydroxy-2-oxo-1-propoxyquinoline-3-carboxamide?
The IUPAC name of N-ethyl-4,6-dihydroxy-2-oxo-1-propoxyquinoline-3-carboxamide (CID 134233787) is N-ethyl-4,6-dihydroxy-2-oxo-1-propoxyquinoline-3-carboxamide.
What is the SMILES notation for N-ethyl-4,6-dihydroxy-2-oxo-1-propoxyquinoline-3-carboxamide?
The canonical SMILES for N-ethyl-4,6-dihydroxy-2-oxo-1-propoxyquinoline-3-carboxamide is CCCOn1c(=O)c(C(=O)NCC)c(O)c2cc(O)ccc21.
What is the InChIKey of N-ethyl-4,6-dihydroxy-2-oxo-1-propoxyquinoline-3-carboxamide?
The InChIKey is DHNJHNSXYCDAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-3-7-22-17-11-6-5-9(18)8-10(11)13(19)12(15(17)21)14(20)16-4-2/h5-6,8,18-19H,3-4,7H2,1-2H3,(H,16,20).
What are the key properties of N-ethyl-4,6-dihydroxy-2-oxo-1-propoxyquinoline-3-carboxamide?
N-ethyl-4,6-dihydroxy-2-oxo-1-propoxyquinoline-3-carboxamide has a molecular weight of 306.32 g/mol, XLogP of 1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,6-dihydroxy-2-oxo-1-propoxyquinoline-3-carboxamide is sourced from PubChem (CID 134233787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).