7-acetamido-2-(2-fluorophenyl)quinoline-4-carboxylic acid

C18H13FN2O3 — CID 18073623

IUPAC7-acetamido-2-(2-fluorophenyl)quinoline-4-carboxylic acid
SMILESCC(=O)Nc1ccc2c(C(=O)O)cc(-c3ccccc3F)nc2c1
InChIInChI=1S/C18H13FN2O3/c1-10(22)20-11-6-7-12-14(18(23)24)9-17(21-16(12)8-11)13-4-2-3-5-15(13)19/h2-9H,1H3,(H,20,22)(H,23,24)
InChIKeyGHRCNBXLXDHPBR-UHFFFAOYSA-N
MW324.31 g/mol
LogP3.70
Rot. Bonds3

About 7-acetamido-2-(2-fluorophenyl)quinoline-4-carboxylic acid

7-acetamido-2-(2-fluorophenyl)quinoline-4-carboxylic acid (PubChem CID 18073623) has the molecular formula C18H13FN2O3 and a molecular weight of 324.31 g/mol. Its IUPAC name is 7-acetamido-2-(2-fluorophenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name7-acetamido-2-(2-fluorophenyl)quinoline-4-carboxylic acid
PubChem CID18073623
Molecular FormulaC18H13FN2O3
Molecular Weight324.31 g/mol
Exact Mass324.09
IUPAC Name7-acetamido-2-(2-fluorophenyl)quinoline-4-carboxylic acid
SMILESCC(=O)Nc1ccc2c(C(=O)O)cc(-c3ccccc3F)nc2c1
InChIInChI=1S/C18H13FN2O3/c1-10(22)20-11-6-7-12-14(18(23)24)9-17(21-16(12)8-11)13-4-2-3-5-15(13)19/h2-9H,1H3,(H,20,22)(H,23,24)
InChIKeyGHRCNBXLXDHPBR-UHFFFAOYSA-N
XLogP3.70
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-acetamido-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 18073617
7-acetamido-2-(2,4-dimethylphenyl)quinoline-4-carboxylic acid
CID 18073634
7-acetamido-2-(4-ethylphenyl)quinoline-4-carboxylic acid
CID 18073631
7-acetamido-2-[4-(difluoromethoxy)phenyl]quinoline-4-carboxylic acid
CID 18073616
N'-[4-amino-2-(2-fluorophenyl)quinolin-6-yl]acetohydrazide
CID 18439821
N-[3-[6-chloro-4-(2-fluorophenyl)quinolin-2-yl]phenyl]acetamide
CID 8966981
7-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid
CID 63462482
6-acetamido-2-(4-chlorophenyl)quinoline-4-carboxylic acid
CID 18073438
N-[2-(2-fluorophenyl)-4-(methylamino)quinazolin-7-yl]benzamide
CID 177344828
2-(2-fluorophenyl)-6-methyl-N-propan-2-ylquinoline-4-carboxamide
CID 42749910
2,6-bis(2-fluorophenyl)pyridine-4-carboxylic acid
CID 46313699
N-(5-acetamido-2-fluorophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 55552057

Frequently Asked Questions

What is the IUPAC name of 7-acetamido-2-(2-fluorophenyl)quinoline-4-carboxylic acid?
The IUPAC name of 7-acetamido-2-(2-fluorophenyl)quinoline-4-carboxylic acid (CID 18073623) is 7-acetamido-2-(2-fluorophenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 7-acetamido-2-(2-fluorophenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 7-acetamido-2-(2-fluorophenyl)quinoline-4-carboxylic acid is CC(=O)Nc1ccc2c(C(=O)O)cc(-c3ccccc3F)nc2c1.
What is the InChIKey of 7-acetamido-2-(2-fluorophenyl)quinoline-4-carboxylic acid?
The InChIKey is GHRCNBXLXDHPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O3/c1-10(22)20-11-6-7-12-14(18(23)24)9-17(21-16(12)8-11)13-4-2-3-5-15(13)19/h2-9H,1H3,(H,20,22)(H,23,24).
What are the key properties of 7-acetamido-2-(2-fluorophenyl)quinoline-4-carboxylic acid?
7-acetamido-2-(2-fluorophenyl)quinoline-4-carboxylic acid has a molecular weight of 324.31 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetamido-2-(2-fluorophenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 18073623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).