2-fluoro-N-[2-[6-(morpholin-4-ylamino)-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide

C26H26FN5O3 — CID 59019286

IUPAC2-fluoro-N-[2-[6-(morpholin-4-ylamino)-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide
SMILESCC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1ccc(NN2CCOCC2)nc1
InChIInChI=1S/C26H26FN5O3/c1-26(2,16-7-8-23(28-15-16)31-32-9-11-35-12-10-32)30-25(34)18-14-22-19(13-20(18)27)24(33)17-5-3-4-6-21(17)29-22/h3-8,13-15H,9-12H2,1-2H3,(H,28,31)(H,29,33)(H,30,34)
InChIKeyRRRHQUMSUIGVMC-UHFFFAOYSA-N
MW475.52 g/mol
LogP3.54
Rot. Bonds5

About 2-fluoro-N-[2-[6-(morpholin-4-ylamino)-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide

2-fluoro-N-[2-[6-(morpholin-4-ylamino)-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide (PubChem CID 59019286) has the molecular formula C26H26FN5O3 and a molecular weight of 475.52 g/mol. Its IUPAC name is 2-fluoro-N-[2-[6-(morpholin-4-ylamino)-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[6-(morpholin-4-ylamino)-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide
PubChem CID59019286
Molecular FormulaC26H26FN5O3
Molecular Weight475.52 g/mol
Exact Mass475.20
IUPAC Name2-fluoro-N-[2-[6-(morpholin-4-ylamino)-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide
SMILESCC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1ccc(NN2CCOCC2)nc1
InChIInChI=1S/C26H26FN5O3/c1-26(2,16-7-8-23(28-15-16)31-32-9-11-35-12-10-32)30-25(34)18-14-22-19(13-20(18)27)24(33)17-5-3-4-6-21(17)29-22/h3-8,13-15H,9-12H2,1-2H3,(H,28,31)(H,29,33)(H,30,34)
InChIKeyRRRHQUMSUIGVMC-UHFFFAOYSA-N
XLogP3.54
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-fluoro-N-[2-[6-(morpholin-4-ylamino)-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide with MolForge

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Related Compounds

CID 16748022
CID 16748022
CID 9913339
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CID 16748745
CID 16748745
CID 9912093
CID 9912093
CID 16748145
CID 16748145
CID 16748529
CID 16748529
CID 71208807
CID 71208807
CID 172434907
CID 172434907
CID 123200910
CID 123200910
CID 24776774
CID 24776774
CID 24777269
CID 24777269
CID 22057995
CID 22057995

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[6-(morpholin-4-ylamino)-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide?
The IUPAC name of 2-fluoro-N-[2-[6-(morpholin-4-ylamino)-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide (CID 59019286) is 2-fluoro-N-[2-[6-(morpholin-4-ylamino)-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide.
What is the SMILES notation for 2-fluoro-N-[2-[6-(morpholin-4-ylamino)-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide?
The canonical SMILES for 2-fluoro-N-[2-[6-(morpholin-4-ylamino)-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide is CC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1ccc(NN2CCOCC2)nc1.
What is the InChIKey of 2-fluoro-N-[2-[6-(morpholin-4-ylamino)-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide?
The InChIKey is RRRHQUMSUIGVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O3/c1-26(2,16-7-8-23(28-15-16)31-32-9-11-35-12-10-32)30-25(34)18-14-22-19(13-20(18)27)24(33)17-5-3-4-6-21(17)29-22/h3-8,13-15H,9-12H2,1-2H3,(H,28,31)(H,29,33)(H,30,34).
What are the key properties of 2-fluoro-N-[2-[6-(morpholin-4-ylamino)-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide?
2-fluoro-N-[2-[6-(morpholin-4-ylamino)-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide has a molecular weight of 475.52 g/mol, XLogP of 3.54, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[6-(morpholin-4-ylamino)-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide is sourced from PubChem (CID 59019286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).