2-[6-amino-1-[3-(oxan-2-yloxy)propyl]-2-oxoquinolin-3-yl]oxy-N-methylacetamide

C20H27N3O5 — CID 135137770

IUPAC2-[6-amino-1-[3-(oxan-2-yloxy)propyl]-2-oxoquinolin-3-yl]oxy-N-methylacetamide
SMILESCNC(=O)COc1cc2cc(N)ccc2n(CCCOC2CCCCO2)c1=O
InChIInChI=1S/C20H27N3O5/c1-22-18(24)13-28-17-12-14-11-15(21)6-7-16(14)23(20(17)25)8-4-10-27-19-5-2-3-9-26-19/h6-7,11-12,19H,2-5,8-10,13,21H2,1H3,(H,22,24)
InChIKeyDUIWVCNGOALNSZ-UHFFFAOYSA-N
MW389.45 g/mol
LogP1.64
Rot. Bonds8

About 2-[6-amino-1-[3-(oxan-2-yloxy)propyl]-2-oxoquinolin-3-yl]oxy-N-methylacetamide

2-[6-amino-1-[3-(oxan-2-yloxy)propyl]-2-oxoquinolin-3-yl]oxy-N-methylacetamide (PubChem CID 135137770) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is 2-[6-amino-1-[3-(oxan-2-yloxy)propyl]-2-oxoquinolin-3-yl]oxy-N-methylacetamide.

Molecular Properties

Compound Name2-[6-amino-1-[3-(oxan-2-yloxy)propyl]-2-oxoquinolin-3-yl]oxy-N-methylacetamide
PubChem CID135137770
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC Name2-[6-amino-1-[3-(oxan-2-yloxy)propyl]-2-oxoquinolin-3-yl]oxy-N-methylacetamide
SMILESCNC(=O)COc1cc2cc(N)ccc2n(CCCOC2CCCCO2)c1=O
InChIInChI=1S/C20H27N3O5/c1-22-18(24)13-28-17-12-14-11-15(21)6-7-16(14)23(20(17)25)8-4-10-27-19-5-2-3-9-26-19/h6-7,11-12,19H,2-5,8-10,13,21H2,1H3,(H,22,24)
InChIKeyDUIWVCNGOALNSZ-UHFFFAOYSA-N
XLogP1.64
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-1-[3-(oxan-2-yloxy)propyl]-2-oxoquinolin-3-yl]oxy-N-methylacetamide?
The IUPAC name of 2-[6-amino-1-[3-(oxan-2-yloxy)propyl]-2-oxoquinolin-3-yl]oxy-N-methylacetamide (CID 135137770) is 2-[6-amino-1-[3-(oxan-2-yloxy)propyl]-2-oxoquinolin-3-yl]oxy-N-methylacetamide.
What is the SMILES notation for 2-[6-amino-1-[3-(oxan-2-yloxy)propyl]-2-oxoquinolin-3-yl]oxy-N-methylacetamide?
The canonical SMILES for 2-[6-amino-1-[3-(oxan-2-yloxy)propyl]-2-oxoquinolin-3-yl]oxy-N-methylacetamide is CNC(=O)COc1cc2cc(N)ccc2n(CCCOC2CCCCO2)c1=O.
What is the InChIKey of 2-[6-amino-1-[3-(oxan-2-yloxy)propyl]-2-oxoquinolin-3-yl]oxy-N-methylacetamide?
The InChIKey is DUIWVCNGOALNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5/c1-22-18(24)13-28-17-12-14-11-15(21)6-7-16(14)23(20(17)25)8-4-10-27-19-5-2-3-9-26-19/h6-7,11-12,19H,2-5,8-10,13,21H2,1H3,(H,22,24).
What are the key properties of 2-[6-amino-1-[3-(oxan-2-yloxy)propyl]-2-oxoquinolin-3-yl]oxy-N-methylacetamide?
2-[6-amino-1-[3-(oxan-2-yloxy)propyl]-2-oxoquinolin-3-yl]oxy-N-methylacetamide has a molecular weight of 389.45 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-1-[3-(oxan-2-yloxy)propyl]-2-oxoquinolin-3-yl]oxy-N-methylacetamide is sourced from PubChem (CID 135137770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).