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

C27H27FN4O4 — CID 16748274

IUPAC2-fluoro-N-[2-(5-methoxy-6-morpholin-4-yl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide
SMILESCOc1cc(C(C)(C)NC(=O)c2cc3[nH]c4ccccc4c(=O)c3cc2F)cnc1N1CCOCC1
InChIInChI=1S/C27H27FN4O4/c1-27(2,16-12-23(35-3)25(29-15-16)32-8-10-36-11-9-32)31-26(34)18-14-22-19(13-20(18)28)24(33)17-6-4-5-7-21(17)30-22/h4-7,12-15H,8-11H2,1-3H3,(H,30,33)(H,31,34)
InChIKeyQLBPKSGIVPWWMN-UHFFFAOYSA-N
MW490.54 g/mol
LogP3.73
Rot. Bonds5

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

2-fluoro-N-[2-(5-methoxy-6-morpholin-4-yl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide (PubChem CID 16748274) has the molecular formula C27H27FN4O4 and a molecular weight of 490.54 g/mol. Its IUPAC name is 2-fluoro-N-[2-(5-methoxy-6-morpholin-4-yl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(5-methoxy-6-morpholin-4-yl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide
PubChem CID16748274
Molecular FormulaC27H27FN4O4
Molecular Weight490.54 g/mol
Exact Mass490.20
IUPAC Name2-fluoro-N-[2-(5-methoxy-6-morpholin-4-yl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide
SMILESCOc1cc(C(C)(C)NC(=O)c2cc3[nH]c4ccccc4c(=O)c3cc2F)cnc1N1CCOCC1
InChIInChI=1S/C27H27FN4O4/c1-27(2,16-12-23(35-3)25(29-15-16)32-8-10-36-11-9-32)31-26(34)18-14-22-19(13-20(18)28)24(33)17-6-4-5-7-21(17)30-22/h4-7,12-15H,8-11H2,1-3H3,(H,30,33)(H,31,34)
InChIKeyQLBPKSGIVPWWMN-UHFFFAOYSA-N
XLogP3.73
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.54
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-fluoro-N-[2-(5-methoxy-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-methoxy-6-morpholin-4-yl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide?
The IUPAC name of 2-fluoro-N-[2-(5-methoxy-6-morpholin-4-yl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide (CID 16748274) is 2-fluoro-N-[2-(5-methoxy-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-methoxy-6-morpholin-4-yl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide?
The canonical SMILES for 2-fluoro-N-[2-(5-methoxy-6-morpholin-4-yl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide is COc1cc(C(C)(C)NC(=O)c2cc3[nH]c4ccccc4c(=O)c3cc2F)cnc1N1CCOCC1.
What is the InChIKey of 2-fluoro-N-[2-(5-methoxy-6-morpholin-4-yl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide?
The InChIKey is QLBPKSGIVPWWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN4O4/c1-27(2,16-12-23(35-3)25(29-15-16)32-8-10-36-11-9-32)31-26(34)18-14-22-19(13-20(18)28)24(33)17-6-4-5-7-21(17)30-22/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-methoxy-6-morpholin-4-yl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide?
2-fluoro-N-[2-(5-methoxy-6-morpholin-4-yl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide has a molecular weight of 490.54 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(5-methoxy-6-morpholin-4-yl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide is sourced from PubChem (CID 16748274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).