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

C24H21FN4O3 — CID 16748528

IUPACN-[2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide
SMILESCC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1cnc2c(c1)OCCN2
InChIInChI=1S/C24H21FN4O3/c1-24(2,13-9-20-22(27-12-13)26-7-8-32-20)29-23(31)15-11-19-16(10-17(15)25)21(30)14-5-3-4-6-18(14)28-19/h3-6,9-12H,7-8H2,1-2H3,(H,26,27)(H,28,30)(H,29,31)
InChIKeySOGONSJMRDJQLC-UHFFFAOYSA-N
MW432.46 g/mol
LogP3.68
Rot. Bonds3

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

N-[2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide (PubChem CID 16748528) has the molecular formula C24H21FN4O3 and a molecular weight of 432.46 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide
PubChem CID16748528
Molecular FormulaC24H21FN4O3
Molecular Weight432.46 g/mol
Exact Mass432.16
IUPAC NameN-[2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide
SMILESCC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1cnc2c(c1)OCCN2
InChIInChI=1S/C24H21FN4O3/c1-24(2,13-9-20-22(27-12-13)26-7-8-32-20)29-23(31)15-11-19-16(10-17(15)25)21(30)14-5-3-4-6-18(14)28-19/h3-6,9-12H,7-8H2,1-2H3,(H,26,27)(H,28,30)(H,29,31)
InChIKeySOGONSJMRDJQLC-UHFFFAOYSA-N
XLogP3.68
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 53.68
H-Bond Donors ≤ 53
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-(3,4-dihydro-2H-pyrido[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-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide (CID 16748528) is N-[2-(3,4-dihydro-2H-pyrido[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-(3,4-dihydro-2H-pyrido[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-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide is CC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1cnc2c(c1)OCCN2.
What is the InChIKey of N-[2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide?
The InChIKey is SOGONSJMRDJQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O3/c1-24(2,13-9-20-22(27-12-13)26-7-8-32-20)29-23(31)15-11-19-16(10-17(15)25)21(30)14-5-3-4-6-18(14)28-19/h3-6,9-12H,7-8H2,1-2H3,(H,26,27)(H,28,30)(H,29,31).
What are the key properties of N-[2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide?
N-[2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide has a molecular weight of 432.46 g/mol, XLogP of 3.68, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide is sourced from PubChem (CID 16748528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).