2-fluoro-N-[2-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide

C27H27FN4O3 — CID 16748745

IUPAC2-fluoro-N-[2-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide
SMILESCc1cc(C(C)(C)NC(=O)c2cc3[nH]c4ccccc4c(=O)c3cc2F)cnc1N1CCOCC1
InChIInChI=1S/C27H27FN4O3/c1-16-12-17(15-29-25(16)32-8-10-35-11-9-32)27(2,3)31-26(34)19-14-23-20(13-21(19)28)24(33)18-6-4-5-7-22(18)30-23/h4-7,12-15H,8-11H2,1-3H3,(H,30,33)(H,31,34)
InChIKeyOVOZMEDUHMGHJA-UHFFFAOYSA-N
MW474.54 g/mol
LogP4.03
Rot. Bonds4

About 2-fluoro-N-[2-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide

2-fluoro-N-[2-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide (PubChem CID 16748745) has the molecular formula C27H27FN4O3 and a molecular weight of 474.54 g/mol. Its IUPAC name is 2-fluoro-N-[2-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide
PubChem CID16748745
Molecular FormulaC27H27FN4O3
Molecular Weight474.54 g/mol
Exact Mass474.21
IUPAC Name2-fluoro-N-[2-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide
SMILESCc1cc(C(C)(C)NC(=O)c2cc3[nH]c4ccccc4c(=O)c3cc2F)cnc1N1CCOCC1
InChIInChI=1S/C27H27FN4O3/c1-16-12-17(15-29-25(16)32-8-10-35-11-9-32)27(2,3)31-26(34)19-14-23-20(13-21(19)28)24(33)18-6-4-5-7-22(18)30-23/h4-7,12-15H,8-11H2,1-3H3,(H,30,33)(H,31,34)
InChIKeyOVOZMEDUHMGHJA-UHFFFAOYSA-N
XLogP4.03
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-fluoro-N-[2-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide?
The IUPAC name of 2-fluoro-N-[2-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide (CID 16748745) is 2-fluoro-N-[2-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide.
What is the SMILES notation for 2-fluoro-N-[2-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide?
The canonical SMILES for 2-fluoro-N-[2-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide is Cc1cc(C(C)(C)NC(=O)c2cc3[nH]c4ccccc4c(=O)c3cc2F)cnc1N1CCOCC1.
What is the InChIKey of 2-fluoro-N-[2-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide?
The InChIKey is OVOZMEDUHMGHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN4O3/c1-16-12-17(15-29-25(16)32-8-10-35-11-9-32)27(2,3)31-26(34)19-14-23-20(13-21(19)28)24(33)18-6-4-5-7-22(18)30-23/h4-7,12-15H,8-11H2,1-3H3,(H,30,33)(H,31,34).
What are the key properties of 2-fluoro-N-[2-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide?
2-fluoro-N-[2-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide has a molecular weight of 474.54 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide is sourced from PubChem (CID 16748745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).