7-amino-1-ethyl-4-hydroxy-3-propan-2-yloxyquinolin-2-one

C14H18N2O3 — CID 54713859

IUPAC7-amino-1-ethyl-4-hydroxy-3-propan-2-yloxyquinolin-2-one
SMILESCCn1c(=O)c(OC(C)C)c(O)c2ccc(N)cc21
InChIInChI=1S/C14H18N2O3/c1-4-16-11-7-9(15)5-6-10(11)12(17)13(14(16)18)19-8(2)3/h5-8,17H,4,15H2,1-3H3
InChIKeyPMSRXZUYOMICQN-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.10
Rot. Bonds3

About 7-amino-1-ethyl-4-hydroxy-3-propan-2-yloxyquinolin-2-one

7-amino-1-ethyl-4-hydroxy-3-propan-2-yloxyquinolin-2-one (PubChem CID 54713859) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 7-amino-1-ethyl-4-hydroxy-3-propan-2-yloxyquinolin-2-one.

Molecular Properties

Compound Name7-amino-1-ethyl-4-hydroxy-3-propan-2-yloxyquinolin-2-one
PubChem CID54713859
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name7-amino-1-ethyl-4-hydroxy-3-propan-2-yloxyquinolin-2-one
SMILESCCn1c(=O)c(OC(C)C)c(O)c2ccc(N)cc21
InChIInChI=1S/C14H18N2O3/c1-4-16-11-7-9(15)5-6-10(11)12(17)13(14(16)18)19-8(2)3/h5-8,17H,4,15H2,1-3H3
InChIKeyPMSRXZUYOMICQN-UHFFFAOYSA-N
XLogP2.10
TPSA77.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-amino-1-ethyl-4-hydroxy-3-propan-2-yloxyquinolin-2-one?
The IUPAC name of 7-amino-1-ethyl-4-hydroxy-3-propan-2-yloxyquinolin-2-one (CID 54713859) is 7-amino-1-ethyl-4-hydroxy-3-propan-2-yloxyquinolin-2-one.
What is the SMILES notation for 7-amino-1-ethyl-4-hydroxy-3-propan-2-yloxyquinolin-2-one?
The canonical SMILES for 7-amino-1-ethyl-4-hydroxy-3-propan-2-yloxyquinolin-2-one is CCn1c(=O)c(OC(C)C)c(O)c2ccc(N)cc21.
What is the InChIKey of 7-amino-1-ethyl-4-hydroxy-3-propan-2-yloxyquinolin-2-one?
The InChIKey is PMSRXZUYOMICQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-4-16-11-7-9(15)5-6-10(11)12(17)13(14(16)18)19-8(2)3/h5-8,17H,4,15H2,1-3H3.
What are the key properties of 7-amino-1-ethyl-4-hydroxy-3-propan-2-yloxyquinolin-2-one?
7-amino-1-ethyl-4-hydroxy-3-propan-2-yloxyquinolin-2-one has a molecular weight of 262.31 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-ethyl-4-hydroxy-3-propan-2-yloxyquinolin-2-one is sourced from PubChem (CID 54713859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).