4-[1-(5-cyclobutylpyrimidin-2-yl)ethylamino]-6-(hydroxyamino)-1-methylquinolin-2-one

C20H23N5O2 — CID 142478221

IUPAC4-[1-(5-cyclobutylpyrimidin-2-yl)ethylamino]-6-(hydroxyamino)-1-methylquinolin-2-one
SMILESCC(Nc1cc(=O)n(C)c2ccc(NO)cc12)c1ncc(C2CCC2)cn1
InChIInChI=1S/C20H23N5O2/c1-12(20-21-10-14(11-22-20)13-4-3-5-13)23-17-9-19(26)25(2)18-7-6-15(24-27)8-16(17)18/h6-13,23-24,27H,3-5H2,1-2H3
InChIKeyRIQYYYRLGSQDPX-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.57
Rot. Bonds5

About 4-[1-(5-cyclobutylpyrimidin-2-yl)ethylamino]-6-(hydroxyamino)-1-methylquinolin-2-one

4-[1-(5-cyclobutylpyrimidin-2-yl)ethylamino]-6-(hydroxyamino)-1-methylquinolin-2-one (PubChem CID 142478221) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 4-[1-(5-cyclobutylpyrimidin-2-yl)ethylamino]-6-(hydroxyamino)-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-[1-(5-cyclobutylpyrimidin-2-yl)ethylamino]-6-(hydroxyamino)-1-methylquinolin-2-one
PubChem CID142478221
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name4-[1-(5-cyclobutylpyrimidin-2-yl)ethylamino]-6-(hydroxyamino)-1-methylquinolin-2-one
SMILESCC(Nc1cc(=O)n(C)c2ccc(NO)cc12)c1ncc(C2CCC2)cn1
InChIInChI=1S/C20H23N5O2/c1-12(20-21-10-14(11-22-20)13-4-3-5-13)23-17-9-19(26)25(2)18-7-6-15(24-27)8-16(17)18/h6-13,23-24,27H,3-5H2,1-2H3
InChIKeyRIQYYYRLGSQDPX-UHFFFAOYSA-N
XLogP3.57
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-cyclobutylpyrimidin-2-yl)ethylamino]-6-(hydroxyamino)-1-methylquinolin-2-one?
The IUPAC name of 4-[1-(5-cyclobutylpyrimidin-2-yl)ethylamino]-6-(hydroxyamino)-1-methylquinolin-2-one (CID 142478221) is 4-[1-(5-cyclobutylpyrimidin-2-yl)ethylamino]-6-(hydroxyamino)-1-methylquinolin-2-one.
What is the SMILES notation for 4-[1-(5-cyclobutylpyrimidin-2-yl)ethylamino]-6-(hydroxyamino)-1-methylquinolin-2-one?
The canonical SMILES for 4-[1-(5-cyclobutylpyrimidin-2-yl)ethylamino]-6-(hydroxyamino)-1-methylquinolin-2-one is CC(Nc1cc(=O)n(C)c2ccc(NO)cc12)c1ncc(C2CCC2)cn1.
What is the InChIKey of 4-[1-(5-cyclobutylpyrimidin-2-yl)ethylamino]-6-(hydroxyamino)-1-methylquinolin-2-one?
The InChIKey is RIQYYYRLGSQDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-12(20-21-10-14(11-22-20)13-4-3-5-13)23-17-9-19(26)25(2)18-7-6-15(24-27)8-16(17)18/h6-13,23-24,27H,3-5H2,1-2H3.
What are the key properties of 4-[1-(5-cyclobutylpyrimidin-2-yl)ethylamino]-6-(hydroxyamino)-1-methylquinolin-2-one?
4-[1-(5-cyclobutylpyrimidin-2-yl)ethylamino]-6-(hydroxyamino)-1-methylquinolin-2-one has a molecular weight of 365.44 g/mol, XLogP of 3.57, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-cyclobutylpyrimidin-2-yl)ethylamino]-6-(hydroxyamino)-1-methylquinolin-2-one is sourced from PubChem (CID 142478221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).