2-fluoro-9-oxo-N-(1-pyridin-4-ylpropan-2-yl)-10H-acridine-3-carboxamide

C22H18FN3O2 — CID 142264908

IUPAC2-fluoro-9-oxo-N-(1-pyridin-4-ylpropan-2-yl)-10H-acridine-3-carboxamide
SMILESCC(Cc1ccncc1)NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F
InChIInChI=1S/C22H18FN3O2/c1-13(10-14-6-8-24-9-7-14)25-22(28)16-12-20-17(11-18(16)23)21(27)15-4-2-3-5-19(15)26-20/h2-9,11-13H,10H2,1H3,(H,25,28)(H,26,27)
InChIKeyKTVLYYQBKFGMPC-UHFFFAOYSA-N
MW375.40 g/mol
LogP3.58
Rot. Bonds4

About 2-fluoro-9-oxo-N-(1-pyridin-4-ylpropan-2-yl)-10H-acridine-3-carboxamide

2-fluoro-9-oxo-N-(1-pyridin-4-ylpropan-2-yl)-10H-acridine-3-carboxamide (PubChem CID 142264908) has the molecular formula C22H18FN3O2 and a molecular weight of 375.40 g/mol. Its IUPAC name is 2-fluoro-9-oxo-N-(1-pyridin-4-ylpropan-2-yl)-10H-acridine-3-carboxamide.

Molecular Properties

Compound Name2-fluoro-9-oxo-N-(1-pyridin-4-ylpropan-2-yl)-10H-acridine-3-carboxamide
PubChem CID142264908
Molecular FormulaC22H18FN3O2
Molecular Weight375.40 g/mol
Exact Mass375.14
IUPAC Name2-fluoro-9-oxo-N-(1-pyridin-4-ylpropan-2-yl)-10H-acridine-3-carboxamide
SMILESCC(Cc1ccncc1)NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F
InChIInChI=1S/C22H18FN3O2/c1-13(10-14-6-8-24-9-7-14)25-22(28)16-12-20-17(11-18(16)23)21(27)15-4-2-3-5-19(15)26-20/h2-9,11-13H,10H2,1H3,(H,25,28)(H,26,27)
InChIKeyKTVLYYQBKFGMPC-UHFFFAOYSA-N
XLogP3.58
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-9-oxo-N-[2-(pyridin-3-yl)propan-2-yl]-9,10-dihydroacridine-3-carboxamide
CID 16748022
5-((2-Methyl-5-((3-(trifluoromethyl)phenyl)carbamoyl)phenyl)amino)pyridine-3-carboxamide
CID 24875320
9-oxo-N-[2-(pyridin-3-yl)propan-2-yl]-9,10-dihydroacridine-3-carboxamide
CID 16748020
2-fluoro-9-oxo-N-[2-(pyridin-2-yl)propan-2-yl]-9,10-dihydroacridine-3-carboxamide
CID 16748525
9-oxo-N-[2-(pyridin-4-yl)propan-2-yl]-9,10-dihydroacridine-3-carboxamide
CID 16748637
2-((4-pyridyl)methyl)amino-N-(3-(trifluoromethyl)phenyl)benzamide
CID 6398883
Bms-566419
CID 9913339
2-fluoro-N-[2-(6-methylpyridin-3-yl)propan-2-yl]-9-oxo-9,10-dihydroacridine-3-carboxamide
CID 16748144
2-{4-[({3-[3-Benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenyl}amino)methyl]phenyl}acetamide
CID 23648484
N-[(2S)-1-[(4R)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]propan-2-yl]quinoline-3-carboxamide
CID 50902705
N,N-diethyl-4-(1-piperazinyl(8-quinolinyl)methyl)benzamide
CID 9801260
(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyridin-4-ylmethanone
CID 2874798

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-9-oxo-N-(1-pyridin-4-ylpropan-2-yl)-10H-acridine-3-carboxamide?
The IUPAC name of 2-fluoro-9-oxo-N-(1-pyridin-4-ylpropan-2-yl)-10H-acridine-3-carboxamide (CID 142264908) is 2-fluoro-9-oxo-N-(1-pyridin-4-ylpropan-2-yl)-10H-acridine-3-carboxamide.
What is the SMILES notation for 2-fluoro-9-oxo-N-(1-pyridin-4-ylpropan-2-yl)-10H-acridine-3-carboxamide?
The canonical SMILES for 2-fluoro-9-oxo-N-(1-pyridin-4-ylpropan-2-yl)-10H-acridine-3-carboxamide is CC(Cc1ccncc1)NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F.
What is the InChIKey of 2-fluoro-9-oxo-N-(1-pyridin-4-ylpropan-2-yl)-10H-acridine-3-carboxamide?
The InChIKey is KTVLYYQBKFGMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2/c1-13(10-14-6-8-24-9-7-14)25-22(28)16-12-20-17(11-18(16)23)21(27)15-4-2-3-5-19(15)26-20/h2-9,11-13H,10H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 2-fluoro-9-oxo-N-(1-pyridin-4-ylpropan-2-yl)-10H-acridine-3-carboxamide?
2-fluoro-9-oxo-N-(1-pyridin-4-ylpropan-2-yl)-10H-acridine-3-carboxamide has a molecular weight of 375.40 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-9-oxo-N-(1-pyridin-4-ylpropan-2-yl)-10H-acridine-3-carboxamide is sourced from PubChem (CID 142264908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).