cyclopropyl 5-amino-1-ethyl-6,7-difluoro-4-oxo-8-propan-2-yloxyquinoline-3-carboxylate

C18H20F2N2O4 — CID 68821279

IUPACcyclopropyl 5-amino-1-ethyl-6,7-difluoro-4-oxo-8-propan-2-yloxyquinoline-3-carboxylate
SMILESCCn1cc(C(=O)OC2CC2)c(=O)c2c(N)c(F)c(F)c(OC(C)C)c21
InChIInChI=1S/C18H20F2N2O4/c1-4-22-7-10(18(24)26-9-5-6-9)16(23)11-14(21)12(19)13(20)17(15(11)22)25-8(2)3/h7-9H,4-6,21H2,1-3H3
InChIKeyPYOSXEYKMFVEIL-UHFFFAOYSA-N
MW366.36 g/mol
LogP2.99
Rot. Bonds5

About cyclopropyl 5-amino-1-ethyl-6,7-difluoro-4-oxo-8-propan-2-yloxyquinoline-3-carboxylate

cyclopropyl 5-amino-1-ethyl-6,7-difluoro-4-oxo-8-propan-2-yloxyquinoline-3-carboxylate (PubChem CID 68821279) has the molecular formula C18H20F2N2O4 and a molecular weight of 366.36 g/mol. Its IUPAC name is cyclopropyl 5-amino-1-ethyl-6,7-difluoro-4-oxo-8-propan-2-yloxyquinoline-3-carboxylate.

Molecular Properties

Compound Namecyclopropyl 5-amino-1-ethyl-6,7-difluoro-4-oxo-8-propan-2-yloxyquinoline-3-carboxylate
PubChem CID68821279
Molecular FormulaC18H20F2N2O4
Molecular Weight366.36 g/mol
Exact Mass366.14
IUPAC Namecyclopropyl 5-amino-1-ethyl-6,7-difluoro-4-oxo-8-propan-2-yloxyquinoline-3-carboxylate
SMILESCCn1cc(C(=O)OC2CC2)c(=O)c2c(N)c(F)c(F)c(OC(C)C)c21
InChIInChI=1S/C18H20F2N2O4/c1-4-22-7-10(18(24)26-9-5-6-9)16(23)11-14(21)12(19)13(20)17(15(11)22)25-8(2)3/h7-9H,4-6,21H2,1-3H3
InChIKeyPYOSXEYKMFVEIL-UHFFFAOYSA-N
XLogP2.99
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze cyclopropyl 5-amino-1-ethyl-6,7-difluoro-4-oxo-8-propan-2-yloxyquinoline-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

cyclopropyl 1-ethyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate
CID 68801881
ethyl 5-amino-1-benzyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate
CID 59002850
ethyl 5-amino-1-cyclopropyl-6,7,8-trifluoro-4-oxoquinoline-3-carboxylate
CID 14127986
5-amino-7-[(1S,2R)-2-aminocyclopropyl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 167361001
5-amino-7-(3-aminoazetidin-1-yl)-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 10337186
ethyl 1-ethyl-6,7,8-trifluoro-5-methyl-4-oxoquinoline-3-carboxylate
CID 14651269
ethyl 1-ethyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate
CID 14099128
cyclopropyl 1-ethyl-6,7-difluoro-8-(2-morpholin-3-ylethoxy)-4-oxoquinoline-3-carboxylate
CID 67042838
5-amino-1-ethyl-6,8-difluoro-4-oxo-7-[[(1R,2S)-2-phenylcyclopropyl]amino]quinoline-3-carboxylic acid
CID 167361092
difluoroboranyl 1-ethyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate
CID 57131028
ethyl 1-ethyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylate
CID 167438441
ethyl 5,6,7,8-tetrafluoro-1-[(1R,2R)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylate
CID 67771319

Frequently Asked Questions

What is the IUPAC name of cyclopropyl 5-amino-1-ethyl-6,7-difluoro-4-oxo-8-propan-2-yloxyquinoline-3-carboxylate?
The IUPAC name of cyclopropyl 5-amino-1-ethyl-6,7-difluoro-4-oxo-8-propan-2-yloxyquinoline-3-carboxylate (CID 68821279) is cyclopropyl 5-amino-1-ethyl-6,7-difluoro-4-oxo-8-propan-2-yloxyquinoline-3-carboxylate.
What is the SMILES notation for cyclopropyl 5-amino-1-ethyl-6,7-difluoro-4-oxo-8-propan-2-yloxyquinoline-3-carboxylate?
The canonical SMILES for cyclopropyl 5-amino-1-ethyl-6,7-difluoro-4-oxo-8-propan-2-yloxyquinoline-3-carboxylate is CCn1cc(C(=O)OC2CC2)c(=O)c2c(N)c(F)c(F)c(OC(C)C)c21.
What is the InChIKey of cyclopropyl 5-amino-1-ethyl-6,7-difluoro-4-oxo-8-propan-2-yloxyquinoline-3-carboxylate?
The InChIKey is PYOSXEYKMFVEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O4/c1-4-22-7-10(18(24)26-9-5-6-9)16(23)11-14(21)12(19)13(20)17(15(11)22)25-8(2)3/h7-9H,4-6,21H2,1-3H3.
What are the key properties of cyclopropyl 5-amino-1-ethyl-6,7-difluoro-4-oxo-8-propan-2-yloxyquinoline-3-carboxylate?
cyclopropyl 5-amino-1-ethyl-6,7-difluoro-4-oxo-8-propan-2-yloxyquinoline-3-carboxylate has a molecular weight of 366.36 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl 5-amino-1-ethyl-6,7-difluoro-4-oxo-8-propan-2-yloxyquinoline-3-carboxylate is sourced from PubChem (CID 68821279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).