5-(1-aminocyclopropyl)-6,7-difluoro-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid

C14H12F2N2O4 — CID 57295330

IUPAC5-(1-aminocyclopropyl)-6,7-difluoro-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
SMILESCOc1c(F)c(F)c(C2(N)CC2)c2c(=O)c(C(=O)O)c[nH]c12
InChIInChI=1S/C14H12F2N2O4/c1-22-12-9(16)8(15)7(14(17)2-3-14)6-10(12)18-4-5(11(6)19)13(20)21/h4H,2-3,17H2,1H3,(H,18,19)(H,20,21)
InChIKeySWZJVEGJBNTKIY-UHFFFAOYSA-N
MW310.26 g/mol
LogP1.46
Rot. Bonds3

About 5-(1-aminocyclopropyl)-6,7-difluoro-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid

5-(1-aminocyclopropyl)-6,7-difluoro-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 57295330) has the molecular formula C14H12F2N2O4 and a molecular weight of 310.26 g/mol. Its IUPAC name is 5-(1-aminocyclopropyl)-6,7-difluoro-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name5-(1-aminocyclopropyl)-6,7-difluoro-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
PubChem CID57295330
Molecular FormulaC14H12F2N2O4
Molecular Weight310.26 g/mol
Exact Mass310.08
IUPAC Name5-(1-aminocyclopropyl)-6,7-difluoro-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
SMILESCOc1c(F)c(F)c(C2(N)CC2)c2c(=O)c(C(=O)O)c[nH]c12
InChIInChI=1S/C14H12F2N2O4/c1-22-12-9(16)8(15)7(14(17)2-3-14)6-10(12)18-4-5(11(6)19)13(20)21/h4H,2-3,17H2,1H3,(H,18,19)(H,20,21)
InChIKeySWZJVEGJBNTKIY-UHFFFAOYSA-N
XLogP1.46
TPSA105.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-(1-aminocyclopropyl)-6,7-difluoro-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid with MolForge

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Related Compounds

ethyl 5-(1-aminocyclopropyl)-6,7,8-trifluoro-4-oxo-1H-quinoline-3-carboxylate
CID 70440355
5-(1-aminocyclopropyl)-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1H-quinoline-3-carboxylic acid;hydrochloride
CID 70438834
7-(3-aminopyrrolidin-1-yl)-6-fluoro-5-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
CID 11186310
5-amino-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
CID 66487941
5-chloro-6,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylic acid
CID 43532026
5-amino-6-fluoro-8-methoxy-4-oxo-7-(3-pyridin-2-ylpropylamino)-1H-quinoline-3-carboxylic acid
CID 161190568
6,7-difluoro-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid
CID 11806724
7-(1-bromocyclopropyl)-6-fluoro-5-methyl-4-oxo-1H-quinoline-3-carboxylic acid
CID 70151029
7-amino-4-methoxy-3-methyl-1H-indole-5-carboxylic acid
CID 84685476
5-bromo-6-fluoro-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid
CID 107593505
6,7-difluoro-8-hydroxy-4-oxo-1H-quinoline-3-carboxylic acid
CID 14455621
7-[(7S)-7-amino-7-methyl-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid
CID 143430661

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminocyclopropyl)-6,7-difluoro-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 5-(1-aminocyclopropyl)-6,7-difluoro-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid (CID 57295330) is 5-(1-aminocyclopropyl)-6,7-difluoro-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 5-(1-aminocyclopropyl)-6,7-difluoro-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 5-(1-aminocyclopropyl)-6,7-difluoro-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid is COc1c(F)c(F)c(C2(N)CC2)c2c(=O)c(C(=O)O)c[nH]c12.
What is the InChIKey of 5-(1-aminocyclopropyl)-6,7-difluoro-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is SWZJVEGJBNTKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O4/c1-22-12-9(16)8(15)7(14(17)2-3-14)6-10(12)18-4-5(11(6)19)13(20)21/h4H,2-3,17H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 5-(1-aminocyclopropyl)-6,7-difluoro-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid?
5-(1-aminocyclopropyl)-6,7-difluoro-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 310.26 g/mol, XLogP of 1.46, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminocyclopropyl)-6,7-difluoro-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 57295330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).