N-[2-(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide

C26H25FN4O3 — CID 59019654

IUPACN-[2-(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide
SMILESCCN1CCOc2cc(C(C)(C)NC(=O)c3cc4[nH]c5ccccc5c(=O)c4cc3F)cnc21
InChIInChI=1S/C26H25FN4O3/c1-4-31-9-10-34-22-11-15(14-28-24(22)31)26(2,3)30-25(33)17-13-21-18(12-19(17)27)23(32)16-7-5-6-8-20(16)29-21/h5-8,11-14H,4,9-10H2,1-3H3,(H,29,32)(H,30,33)
InChIKeyLQODHYUCDBKRGR-UHFFFAOYSA-N
MW460.51 g/mol
LogP4.10
Rot. Bonds4

About N-[2-(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide

N-[2-(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide (PubChem CID 59019654) has the molecular formula C26H25FN4O3 and a molecular weight of 460.51 g/mol. Its IUPAC name is N-[2-(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide
PubChem CID59019654
Molecular FormulaC26H25FN4O3
Molecular Weight460.51 g/mol
Exact Mass460.19
IUPAC NameN-[2-(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide
SMILESCCN1CCOc2cc(C(C)(C)NC(=O)c3cc4[nH]c5ccccc5c(=O)c4cc3F)cnc21
InChIInChI=1S/C26H25FN4O3/c1-4-31-9-10-34-22-11-15(14-28-24(22)31)26(2,3)30-25(33)17-13-21-18(12-19(17)27)23(32)16-7-5-6-8-20(16)29-21/h5-8,11-14H,4,9-10H2,1-3H3,(H,29,32)(H,30,33)
InChIKeyLQODHYUCDBKRGR-UHFFFAOYSA-N
XLogP4.10
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide?
The IUPAC name of N-[2-(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide (CID 59019654) is N-[2-(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide?
The canonical SMILES for N-[2-(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide is CCN1CCOc2cc(C(C)(C)NC(=O)c3cc4[nH]c5ccccc5c(=O)c4cc3F)cnc21.
What is the InChIKey of N-[2-(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide?
The InChIKey is LQODHYUCDBKRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O3/c1-4-31-9-10-34-22-11-15(14-28-24(22)31)26(2,3)30-25(33)17-13-21-18(12-19(17)27)23(32)16-7-5-6-8-20(16)29-21/h5-8,11-14H,4,9-10H2,1-3H3,(H,29,32)(H,30,33).
What are the key properties of N-[2-(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide?
N-[2-(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide has a molecular weight of 460.51 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide is sourced from PubChem (CID 59019654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).