methyl N-(7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinolin-3-yl)carbamate

C14H12ClFN2O3 — CID 101174966

IUPACmethyl N-(7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinolin-3-yl)carbamate
SMILESCOC(=O)Nc1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O
InChIInChI=1S/C14H12ClFN2O3/c1-21-14(20)17-11-6-18(7-2-3-7)12-5-9(15)10(16)4-8(12)13(11)19/h4-7H,2-3H2,1H3,(H,17,20)
InChIKeyOYSFCFDDEBNMTN-UHFFFAOYSA-N
MW310.71 g/mol
LogP3.31
Rot. Bonds2

About methyl N-(7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinolin-3-yl)carbamate

methyl N-(7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinolin-3-yl)carbamate (PubChem CID 101174966) has the molecular formula C14H12ClFN2O3 and a molecular weight of 310.71 g/mol. Its IUPAC name is methyl N-(7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinolin-3-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinolin-3-yl)carbamate
PubChem CID101174966
Molecular FormulaC14H12ClFN2O3
Molecular Weight310.71 g/mol
Exact Mass310.05
IUPAC Namemethyl N-(7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinolin-3-yl)carbamate
SMILESCOC(=O)Nc1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O
InChIInChI=1S/C14H12ClFN2O3/c1-21-14(20)17-11-6-18(7-2-3-7)12-5-9(15)10(16)4-8(12)13(11)19/h4-7H,2-3H2,1H3,(H,17,20)
InChIKeyOYSFCFDDEBNMTN-UHFFFAOYSA-N
XLogP3.31
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.71
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-(7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinolin-3-yl)carbamate?
The IUPAC name of methyl N-(7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinolin-3-yl)carbamate (CID 101174966) is methyl N-(7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinolin-3-yl)carbamate.
What is the SMILES notation for methyl N-(7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinolin-3-yl)carbamate?
The canonical SMILES for methyl N-(7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinolin-3-yl)carbamate is COC(=O)Nc1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O.
What is the InChIKey of methyl N-(7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinolin-3-yl)carbamate?
The InChIKey is OYSFCFDDEBNMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O3/c1-21-14(20)17-11-6-18(7-2-3-7)12-5-9(15)10(16)4-8(12)13(11)19/h4-7H,2-3H2,1H3,(H,17,20).
What are the key properties of methyl N-(7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinolin-3-yl)carbamate?
methyl N-(7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinolin-3-yl)carbamate has a molecular weight of 310.71 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinolin-3-yl)carbamate is sourced from PubChem (CID 101174966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).