2-fluoro-N-[2-(6-methoxy-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide

C23H20FN3O3 — CID 68558828

IUPAC2-fluoro-N-[2-(6-methoxy-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide
SMILESCOc1ccc(C(C)(C)NC(=O)c2cc3[nH]c4ccccc4c(=O)c3cc2F)cn1
InChIInChI=1S/C23H20FN3O3/c1-23(2,13-8-9-20(30-3)25-12-13)27-22(29)15-11-19-16(10-17(15)24)21(28)14-6-4-5-7-18(14)26-19/h4-12H,1-3H3,(H,26,28)(H,27,29)
InChIKeyJGRBMZURYKRZGP-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.89
Rot. Bonds4

About 2-fluoro-N-[2-(6-methoxy-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide

2-fluoro-N-[2-(6-methoxy-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide (PubChem CID 68558828) has the molecular formula C23H20FN3O3 and a molecular weight of 405.43 g/mol. Its IUPAC name is 2-fluoro-N-[2-(6-methoxy-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(6-methoxy-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide
PubChem CID68558828
Molecular FormulaC23H20FN3O3
Molecular Weight405.43 g/mol
Exact Mass405.15
IUPAC Name2-fluoro-N-[2-(6-methoxy-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide
SMILESCOc1ccc(C(C)(C)NC(=O)c2cc3[nH]c4ccccc4c(=O)c3cc2F)cn1
InChIInChI=1S/C23H20FN3O3/c1-23(2,13-8-9-20(30-3)25-12-13)27-22(29)15-11-19-16(10-17(15)24)21(28)14-6-4-5-7-18(14)26-19/h4-12H,1-3H3,(H,26,28)(H,27,29)
InChIKeyJGRBMZURYKRZGP-UHFFFAOYSA-N
XLogP3.89
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[6-(dimethylamino)-3-pyridinyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide
CID 16748529
2-fluoro-N-[2-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide
CID 68560319
2-fluoro-N-[2-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide
CID 68558086
2-fluoro-N-[2-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide
CID 16748745
N-[2-[4-(acetylsulfamoyl)phenyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide
CID 59019348
2-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-amine;N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide
CID 158132438
2-fluoro-N-[2-[6-(2-methylsulfonylpropan-2-yl)-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide;6-(methylsulfonylmethyl)pyridine-3-carbonitrile
CID 158710447
N-[2-(4-ethyl-2,3-dihydro-1,4-benzoxazin-7-yl)propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide
CID 89317749
N-[2-[6-(azetidin-1-yl)-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide
CID 68558236
2-fluoro-9-oxo-N-(1-pyridin-4-ylpropan-2-yl)-10H-acridine-3-carboxamide
CID 142264908
N-(1-ethynylcyclohexyl)-2-fluoro-9-oxo-10H-acridine-3-carboxamide
CID 87498074
3-[1-[2-[4-(2-methoxyethoxy)phenyl]propan-2-ylamino]ethenyl]-10H-acridin-9-one
CID 148779176

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(6-methoxy-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide?
The IUPAC name of 2-fluoro-N-[2-(6-methoxy-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide (CID 68558828) is 2-fluoro-N-[2-(6-methoxy-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide.
What is the SMILES notation for 2-fluoro-N-[2-(6-methoxy-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide?
The canonical SMILES for 2-fluoro-N-[2-(6-methoxy-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide is COc1ccc(C(C)(C)NC(=O)c2cc3[nH]c4ccccc4c(=O)c3cc2F)cn1.
What is the InChIKey of 2-fluoro-N-[2-(6-methoxy-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide?
The InChIKey is JGRBMZURYKRZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3/c1-23(2,13-8-9-20(30-3)25-12-13)27-22(29)15-11-19-16(10-17(15)24)21(28)14-6-4-5-7-18(14)26-19/h4-12H,1-3H3,(H,26,28)(H,27,29).
What are the key properties of 2-fluoro-N-[2-(6-methoxy-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide?
2-fluoro-N-[2-(6-methoxy-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide has a molecular weight of 405.43 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(6-methoxy-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide is sourced from PubChem (CID 68558828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).