2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]-5-iodobenzoic acid

C18H12FIN2O3 — CID 108789589

IUPAC2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]-5-iodobenzoic acid
SMILESCc1cc(C(=O)Nc2ccc(I)cc2C(=O)O)c2cc(F)ccc2n1
InChIInChI=1S/C18H12FIN2O3/c1-9-6-13(12-7-10(19)2-4-15(12)21-9)17(23)22-16-5-3-11(20)8-14(16)18(24)25/h2-8H,1H3,(H,22,23)(H,24,25)
InChIKeyLWYSDOWSFJLMLM-UHFFFAOYSA-N
MW450.21 g/mol
LogP4.24
Rot. Bonds3

About 2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]-5-iodobenzoic acid

2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]-5-iodobenzoic acid (PubChem CID 108789589) has the molecular formula C18H12FIN2O3 and a molecular weight of 450.21 g/mol. Its IUPAC name is 2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]-5-iodobenzoic acid.

Molecular Properties

Compound Name2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]-5-iodobenzoic acid
PubChem CID108789589
Molecular FormulaC18H12FIN2O3
Molecular Weight450.21 g/mol
Exact Mass449.99
IUPAC Name2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]-5-iodobenzoic acid
SMILESCc1cc(C(=O)Nc2ccc(I)cc2C(=O)O)c2cc(F)ccc2n1
InChIInChI=1S/C18H12FIN2O3/c1-9-6-13(12-7-10(19)2-4-15(12)21-9)17(23)22-16-5-3-11(20)8-14(16)18(24)25/h2-8H,1H3,(H,22,23)(H,24,25)
InChIKeyLWYSDOWSFJLMLM-UHFFFAOYSA-N
XLogP4.24
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.21
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]benzoic acid
CID 108789645
6-fluoro-N-(3-hydroxyphenyl)-2-methylquinoline-4-carboxamide
CID 108789542
6-fluoro-N'-(4-fluorobenzoyl)-2-methylquinoline-4-carbohydrazide
CID 4732337
6-fluoro-N-(2-hydroxy-4-nitrophenyl)-2-methylquinoline-4-carboxamide
CID 108802569
6-fluoro-2-methyl-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 4732250
dimethyl 5-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]benzene-1,3-dicarboxylate
CID 4732272
6-fluoro-N-(2-hydroxy-5-nitrophenyl)-2-methylquinoline-4-carboxamide
CID 108789694
6-fluoro-2-methyl-N'-phenylquinoline-4-carbohydrazide
CID 4732291
6-fluoro-2-methyl-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 4732260
N-(2-chloro-4-fluorophenyl)-2-methylquinoline-4-carboxamide
CID 26364307
N-(2-amino-4-fluorophenyl)-2-methylquinoline-4-carboxamide
CID 24710172
6-fluoro-2-methyl-N-(4-morpholin-4-ylphenyl)quinoline-4-carboxamide
CID 108802559

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]-5-iodobenzoic acid?
The IUPAC name of 2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]-5-iodobenzoic acid (CID 108789589) is 2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]-5-iodobenzoic acid.
What is the SMILES notation for 2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]-5-iodobenzoic acid?
The canonical SMILES for 2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]-5-iodobenzoic acid is Cc1cc(C(=O)Nc2ccc(I)cc2C(=O)O)c2cc(F)ccc2n1.
What is the InChIKey of 2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]-5-iodobenzoic acid?
The InChIKey is LWYSDOWSFJLMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FIN2O3/c1-9-6-13(12-7-10(19)2-4-15(12)21-9)17(23)22-16-5-3-11(20)8-14(16)18(24)25/h2-8H,1H3,(H,22,23)(H,24,25).
What are the key properties of 2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]-5-iodobenzoic acid?
2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]-5-iodobenzoic acid has a molecular weight of 450.21 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]-5-iodobenzoic acid is sourced from PubChem (CID 108789589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).