9-fluoro-3-(2-methylphenyl)-5,6-dihydrobenzo[c]acridine-7-carboxylate

C25H17FNO2- — CID 91930911

IUPAC9-fluoro-3-(2-methylphenyl)-5,6-dihydrobenzo[c]acridine-7-carboxylate
SMILESCc1ccccc1-c1ccc2c(c1)CCc1c-2nc2ccc(F)cc2c1C(=O)[O-]
InChIInChI=1S/C25H18FNO2/c1-14-4-2-3-5-18(14)15-6-9-19-16(12-15)7-10-20-23(25(28)29)21-13-17(26)8-11-22(21)27-24(19)20/h2-6,8-9,11-13H,7,10H2,1H3,(H,28,29)/p-1
InChIKeyKOQAEUOKFPJDND-UHFFFAOYSA-M
MW382.41 g/mol
LogP4.48
Rot. Bonds2

About 9-fluoro-3-(2-methylphenyl)-5,6-dihydrobenzo[c]acridine-7-carboxylate

9-fluoro-3-(2-methylphenyl)-5,6-dihydrobenzo[c]acridine-7-carboxylate (PubChem CID 91930911) has the molecular formula C25H17FNO2- and a molecular weight of 382.41 g/mol. Its IUPAC name is 9-fluoro-3-(2-methylphenyl)-5,6-dihydrobenzo[c]acridine-7-carboxylate.

Molecular Properties

Compound Name9-fluoro-3-(2-methylphenyl)-5,6-dihydrobenzo[c]acridine-7-carboxylate
PubChem CID91930911
Molecular FormulaC25H17FNO2-
Molecular Weight382.41 g/mol
Exact Mass382.12
IUPAC Name9-fluoro-3-(2-methylphenyl)-5,6-dihydrobenzo[c]acridine-7-carboxylate
SMILESCc1ccccc1-c1ccc2c(c1)CCc1c-2nc2ccc(F)cc2c1C(=O)[O-]
InChIInChI=1S/C25H18FNO2/c1-14-4-2-3-5-18(14)15-6-9-19-16(12-15)7-10-20-23(25(28)29)21-13-17(26)8-11-22(21)27-24(19)20/h2-6,8-9,11-13H,7,10H2,1H3,(H,28,29)/p-1
InChIKeyKOQAEUOKFPJDND-UHFFFAOYSA-M
XLogP4.48
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 8593
Brequinar
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Neocinchophen
CID 68089
Tetrophan
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CID 169721
Brequinar Analog
CID 1543
3-Methyl-2-phenylquinoline-4-carboxylic acid
CID 673710
6-Methyl-2-phenylquinoline-4-carboxylic acid
CID 698707
2-([1,1'-Biphenyl]-4-yl)quinoline-4-carboxylic Acid
CID 2063288
Acridine-9-carboxylic acid
CID 94721
Brequinar Sodium
CID 23663964
2-(Naphthalen-1-yl)quinoline-4-carboxylic acid
CID 230606

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-3-(2-methylphenyl)-5,6-dihydrobenzo[c]acridine-7-carboxylate?
The IUPAC name of 9-fluoro-3-(2-methylphenyl)-5,6-dihydrobenzo[c]acridine-7-carboxylate (CID 91930911) is 9-fluoro-3-(2-methylphenyl)-5,6-dihydrobenzo[c]acridine-7-carboxylate.
What is the SMILES notation for 9-fluoro-3-(2-methylphenyl)-5,6-dihydrobenzo[c]acridine-7-carboxylate?
The canonical SMILES for 9-fluoro-3-(2-methylphenyl)-5,6-dihydrobenzo[c]acridine-7-carboxylate is Cc1ccccc1-c1ccc2c(c1)CCc1c-2nc2ccc(F)cc2c1C(=O)[O-].
What is the InChIKey of 9-fluoro-3-(2-methylphenyl)-5,6-dihydrobenzo[c]acridine-7-carboxylate?
The InChIKey is KOQAEUOKFPJDND-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H18FNO2/c1-14-4-2-3-5-18(14)15-6-9-19-16(12-15)7-10-20-23(25(28)29)21-13-17(26)8-11-22(21)27-24(19)20/h2-6,8-9,11-13H,7,10H2,1H3,(H,28,29)/p-1.
What are the key properties of 9-fluoro-3-(2-methylphenyl)-5,6-dihydrobenzo[c]acridine-7-carboxylate?
9-fluoro-3-(2-methylphenyl)-5,6-dihydrobenzo[c]acridine-7-carboxylate has a molecular weight of 382.41 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-3-(2-methylphenyl)-5,6-dihydrobenzo[c]acridine-7-carboxylate is sourced from PubChem (CID 91930911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).