[7-chloro-1-[(3,4-difluorophenyl)methyl]-4-oxoquinolin-3-yl] hydrogen carbonate

C17H10ClF2NO4 — CID 68562118

IUPAC[7-chloro-1-[(3,4-difluorophenyl)methyl]-4-oxoquinolin-3-yl] hydrogen carbonate
SMILESO=C(O)Oc1cn(Cc2ccc(F)c(F)c2)c2cc(Cl)ccc2c1=O
InChIInChI=1S/C17H10ClF2NO4/c18-10-2-3-11-14(6-10)21(8-15(16(11)22)25-17(23)24)7-9-1-4-12(19)13(20)5-9/h1-6,8H,7H2,(H,23,24)
InChIKeySFEYOMFKAHRAPP-UHFFFAOYSA-N
MW365.72 g/mol
LogP4.04
Rot. Bonds3

About [7-chloro-1-[(3,4-difluorophenyl)methyl]-4-oxoquinolin-3-yl] hydrogen carbonate

[7-chloro-1-[(3,4-difluorophenyl)methyl]-4-oxoquinolin-3-yl] hydrogen carbonate (PubChem CID 68562118) has the molecular formula C17H10ClF2NO4 and a molecular weight of 365.72 g/mol. Its IUPAC name is [7-chloro-1-[(3,4-difluorophenyl)methyl]-4-oxoquinolin-3-yl] hydrogen carbonate.

Molecular Properties

Compound Name[7-chloro-1-[(3,4-difluorophenyl)methyl]-4-oxoquinolin-3-yl] hydrogen carbonate
PubChem CID68562118
Molecular FormulaC17H10ClF2NO4
Molecular Weight365.72 g/mol
Exact Mass365.03
IUPAC Name[7-chloro-1-[(3,4-difluorophenyl)methyl]-4-oxoquinolin-3-yl] hydrogen carbonate
SMILESO=C(O)Oc1cn(Cc2ccc(F)c(F)c2)c2cc(Cl)ccc2c1=O
InChIInChI=1S/C17H10ClF2NO4/c18-10-2-3-11-14(6-10)21(8-15(16(11)22)25-17(23)24)7-9-1-4-12(19)13(20)5-9/h1-6,8H,7H2,(H,23,24)
InChIKeySFEYOMFKAHRAPP-UHFFFAOYSA-N
XLogP4.04
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.72
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [7-chloro-1-[(3,4-difluorophenyl)methyl]-4-oxoquinolin-3-yl] hydrogen carbonate?
The IUPAC name of [7-chloro-1-[(3,4-difluorophenyl)methyl]-4-oxoquinolin-3-yl] hydrogen carbonate (CID 68562118) is [7-chloro-1-[(3,4-difluorophenyl)methyl]-4-oxoquinolin-3-yl] hydrogen carbonate.
What is the SMILES notation for [7-chloro-1-[(3,4-difluorophenyl)methyl]-4-oxoquinolin-3-yl] hydrogen carbonate?
The canonical SMILES for [7-chloro-1-[(3,4-difluorophenyl)methyl]-4-oxoquinolin-3-yl] hydrogen carbonate is O=C(O)Oc1cn(Cc2ccc(F)c(F)c2)c2cc(Cl)ccc2c1=O.
What is the InChIKey of [7-chloro-1-[(3,4-difluorophenyl)methyl]-4-oxoquinolin-3-yl] hydrogen carbonate?
The InChIKey is SFEYOMFKAHRAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF2NO4/c18-10-2-3-11-14(6-10)21(8-15(16(11)22)25-17(23)24)7-9-1-4-12(19)13(20)5-9/h1-6,8H,7H2,(H,23,24).
What are the key properties of [7-chloro-1-[(3,4-difluorophenyl)methyl]-4-oxoquinolin-3-yl] hydrogen carbonate?
[7-chloro-1-[(3,4-difluorophenyl)methyl]-4-oxoquinolin-3-yl] hydrogen carbonate has a molecular weight of 365.72 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-chloro-1-[(3,4-difluorophenyl)methyl]-4-oxoquinolin-3-yl] hydrogen carbonate is sourced from PubChem (CID 68562118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).