(3S)-1-[aminomethoxy(ethoxy)methoxy]-3-ethoxy-3,4-dihydroquinolin-2-one

C15H22N2O5 — CID 67792922

IUPAC(3S)-1-[aminomethoxy(ethoxy)methoxy]-3-ethoxy-3,4-dihydroquinolin-2-one
SMILESCCOC(OCN)ON1C(=O)[C@@H](OCC)Cc2ccccc21
InChIInChI=1S/C15H22N2O5/c1-3-19-13-9-11-7-5-6-8-12(11)17(14(13)18)22-15(20-4-2)21-10-16/h5-8,13,15H,3-4,9-10,16H2,1-2H3/t13-,15?/m0/s1
InChIKeyQBOWIHTZRJHRPA-CFMCSPIPSA-N
MW310.35 g/mol
LogP1.17
Rot. Bonds8

About (3S)-1-[aminomethoxy(ethoxy)methoxy]-3-ethoxy-3,4-dihydroquinolin-2-one

(3S)-1-[aminomethoxy(ethoxy)methoxy]-3-ethoxy-3,4-dihydroquinolin-2-one (PubChem CID 67792922) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is (3S)-1-[aminomethoxy(ethoxy)methoxy]-3-ethoxy-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name(3S)-1-[aminomethoxy(ethoxy)methoxy]-3-ethoxy-3,4-dihydroquinolin-2-one
PubChem CID67792922
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Name(3S)-1-[aminomethoxy(ethoxy)methoxy]-3-ethoxy-3,4-dihydroquinolin-2-one
SMILESCCOC(OCN)ON1C(=O)[C@@H](OCC)Cc2ccccc21
InChIInChI=1S/C15H22N2O5/c1-3-19-13-9-11-7-5-6-8-12(11)17(14(13)18)22-15(20-4-2)21-10-16/h5-8,13,15H,3-4,9-10,16H2,1-2H3/t13-,15?/m0/s1
InChIKeyQBOWIHTZRJHRPA-CFMCSPIPSA-N
XLogP1.17
TPSA83.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[aminomethoxy(ethoxy)methoxy]-3-ethoxy-3,4-dihydroquinolin-2-one?
The IUPAC name of (3S)-1-[aminomethoxy(ethoxy)methoxy]-3-ethoxy-3,4-dihydroquinolin-2-one (CID 67792922) is (3S)-1-[aminomethoxy(ethoxy)methoxy]-3-ethoxy-3,4-dihydroquinolin-2-one.
What is the SMILES notation for (3S)-1-[aminomethoxy(ethoxy)methoxy]-3-ethoxy-3,4-dihydroquinolin-2-one?
The canonical SMILES for (3S)-1-[aminomethoxy(ethoxy)methoxy]-3-ethoxy-3,4-dihydroquinolin-2-one is CCOC(OCN)ON1C(=O)[C@@H](OCC)Cc2ccccc21.
What is the InChIKey of (3S)-1-[aminomethoxy(ethoxy)methoxy]-3-ethoxy-3,4-dihydroquinolin-2-one?
The InChIKey is QBOWIHTZRJHRPA-CFMCSPIPSA-N. The full InChI is InChI=1S/C15H22N2O5/c1-3-19-13-9-11-7-5-6-8-12(11)17(14(13)18)22-15(20-4-2)21-10-16/h5-8,13,15H,3-4,9-10,16H2,1-2H3/t13-,15?/m0/s1.
What are the key properties of (3S)-1-[aminomethoxy(ethoxy)methoxy]-3-ethoxy-3,4-dihydroquinolin-2-one?
(3S)-1-[aminomethoxy(ethoxy)methoxy]-3-ethoxy-3,4-dihydroquinolin-2-one has a molecular weight of 310.35 g/mol, XLogP of 1.17, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[aminomethoxy(ethoxy)methoxy]-3-ethoxy-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 67792922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).