1-(cyclobutylamino)-4-hydroxyquinolin-2-one;1-(cyclobutylideneamino)-4-hydroxyquinolin-2-one

C26H26N4O4 — CID 161190977

IUPAC1-(cyclobutylamino)-4-hydroxyquinolin-2-one;1-(cyclobutylideneamino)-4-hydroxyquinolin-2-one
SMILESO=c1cc(O)c2ccccc2n1N=C1CCC1.O=c1cc(O)c2ccccc2n1NC1CCC1
InChIInChI=1S/C13H14N2O2.C13H12N2O2/c2*16-12-8-13(17)15(14-9-4-3-5-9)11-7-2-1-6-10(11)12/h1-2,6-9,14,16H,3-5H2;1-2,6-8,16H,3-5H2
InChIKeyUTSHFCYMCBMNCP-UHFFFAOYSA-N
MW458.52 g/mol
LogP3.90
Rot. Bonds3

About 1-(cyclobutylamino)-4-hydroxyquinolin-2-one;1-(cyclobutylideneamino)-4-hydroxyquinolin-2-one

1-(cyclobutylamino)-4-hydroxyquinolin-2-one;1-(cyclobutylideneamino)-4-hydroxyquinolin-2-one (PubChem CID 161190977) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is 1-(cyclobutylamino)-4-hydroxyquinolin-2-one;1-(cyclobutylideneamino)-4-hydroxyquinolin-2-one.

Molecular Properties

Compound Name1-(cyclobutylamino)-4-hydroxyquinolin-2-one;1-(cyclobutylideneamino)-4-hydroxyquinolin-2-one
PubChem CID161190977
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC Name1-(cyclobutylamino)-4-hydroxyquinolin-2-one;1-(cyclobutylideneamino)-4-hydroxyquinolin-2-one
SMILESO=c1cc(O)c2ccccc2n1N=C1CCC1.O=c1cc(O)c2ccccc2n1NC1CCC1
InChIInChI=1S/C13H14N2O2.C13H12N2O2/c2*16-12-8-13(17)15(14-9-4-3-5-9)11-7-2-1-6-10(11)12/h1-2,6-9,14,16H,3-5H2;1-2,6-8,16H,3-5H2
InChIKeyUTSHFCYMCBMNCP-UHFFFAOYSA-N
XLogP3.90
TPSA108.85 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylamino)-4-hydroxyquinolin-2-one;1-(cyclobutylideneamino)-4-hydroxyquinolin-2-one?
The IUPAC name of 1-(cyclobutylamino)-4-hydroxyquinolin-2-one;1-(cyclobutylideneamino)-4-hydroxyquinolin-2-one (CID 161190977) is 1-(cyclobutylamino)-4-hydroxyquinolin-2-one;1-(cyclobutylideneamino)-4-hydroxyquinolin-2-one.
What is the SMILES notation for 1-(cyclobutylamino)-4-hydroxyquinolin-2-one;1-(cyclobutylideneamino)-4-hydroxyquinolin-2-one?
The canonical SMILES for 1-(cyclobutylamino)-4-hydroxyquinolin-2-one;1-(cyclobutylideneamino)-4-hydroxyquinolin-2-one is O=c1cc(O)c2ccccc2n1N=C1CCC1.O=c1cc(O)c2ccccc2n1NC1CCC1.
What is the InChIKey of 1-(cyclobutylamino)-4-hydroxyquinolin-2-one;1-(cyclobutylideneamino)-4-hydroxyquinolin-2-one?
The InChIKey is UTSHFCYMCBMNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2.C13H12N2O2/c2*16-12-8-13(17)15(14-9-4-3-5-9)11-7-2-1-6-10(11)12/h1-2,6-9,14,16H,3-5H2;1-2,6-8,16H,3-5H2.
What are the key properties of 1-(cyclobutylamino)-4-hydroxyquinolin-2-one;1-(cyclobutylideneamino)-4-hydroxyquinolin-2-one?
1-(cyclobutylamino)-4-hydroxyquinolin-2-one;1-(cyclobutylideneamino)-4-hydroxyquinolin-2-one has a molecular weight of 458.52 g/mol, XLogP of 3.90, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylamino)-4-hydroxyquinolin-2-one;1-(cyclobutylideneamino)-4-hydroxyquinolin-2-one is sourced from PubChem (CID 161190977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).