methyl 7-chloro-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate

C15H10ClFN2O3 — CID 18351232

IUPACmethyl 7-chloro-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
SMILESCOC(=O)c1cn(C2CC2)c2c(C#N)c(Cl)c(F)cc2c1=O
InChIInChI=1S/C15H10ClFN2O3/c1-22-15(21)10-6-19(7-2-3-7)13-8(14(10)20)4-11(17)12(16)9(13)5-18/h4,6-7H,2-3H2,1H3
InChIKeyRHYJZBMQOHMWHL-UHFFFAOYSA-N
MW320.71 g/mol
LogP2.79
Rot. Bonds2

About methyl 7-chloro-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate

methyl 7-chloro-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate (PubChem CID 18351232) has the molecular formula C15H10ClFN2O3 and a molecular weight of 320.71 g/mol. Its IUPAC name is methyl 7-chloro-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-chloro-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
PubChem CID18351232
Molecular FormulaC15H10ClFN2O3
Molecular Weight320.71 g/mol
Exact Mass320.04
IUPAC Namemethyl 7-chloro-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
SMILESCOC(=O)c1cn(C2CC2)c2c(C#N)c(Cl)c(F)cc2c1=O
InChIInChI=1S/C15H10ClFN2O3/c1-22-15(21)10-6-19(7-2-3-7)13-8(14(10)20)4-11(17)12(16)9(13)5-18/h4,6-7H,2-3H2,1H3
InChIKeyRHYJZBMQOHMWHL-UHFFFAOYSA-N
XLogP2.79
TPSA72.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.71
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

methyl 10-cyclopropyl-5-fluoro-4-methyl-2,7-dioxo-1,3-dihydropyrido[2,3-f]quinoxaline-8-carboxylate
CID 24897902
methyl 7-[2-(2-cyanoethoxy)-2-oxoethyl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylate
CID 70374681
ethyl 8-cyano-6,7-difluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylate
CID 59306516
methyl 1-cyclopropyl-7-(3,4-dimethylpiperazin-1-yl)-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate
CID 143406870
1-cyclopropyl-6,7,8-trifluoro-4-oxoquinoline-3-carbonitrile
CID 14302347
8-chloro-1-cyclopropyl-6-fluoro-7-(1-methylpyrrolidin-3-yl)oxy-4-oxoquinoline-3-carboxylic acid
CID 15072051
1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxamide
CID 24952472
8-cyano-1-cyclopropyl-6-fluoro-7-[(3R)-3-methyl-5-methylidenepiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 143167277
ethyl 8-chloro-1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylate
CID 18333191
ethyl 1-cyclopropyl-6,8-difluoro-7-iodo-4-oxoquinoline-3-carboxylate
CID 10669733
ethyl 8-bromo-1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate
CID 11046932
8-chloro-1-cyclopropyl-6-fluoro-7-(1-methylpiperidin-4-yl)oxy-4-oxoquinoline-3-carboxylic acid
CID 54524977

Frequently Asked Questions

What is the IUPAC name of methyl 7-chloro-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate?
The IUPAC name of methyl 7-chloro-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate (CID 18351232) is methyl 7-chloro-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for methyl 7-chloro-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate?
The canonical SMILES for methyl 7-chloro-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate is COC(=O)c1cn(C2CC2)c2c(C#N)c(Cl)c(F)cc2c1=O.
What is the InChIKey of methyl 7-chloro-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate?
The InChIKey is RHYJZBMQOHMWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O3/c1-22-15(21)10-6-19(7-2-3-7)13-8(14(10)20)4-11(17)12(16)9(13)5-18/h4,6-7H,2-3H2,1H3.
What are the key properties of methyl 7-chloro-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate?
methyl 7-chloro-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate has a molecular weight of 320.71 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-chloro-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 18351232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).