(5-chloroquinolin-8-yl) furan-2-carboxylate

C14H8ClNO3 — CID 699693

IUPAC(5-chloroquinolin-8-yl) furan-2-carboxylate
SMILESO=C(Oc1ccc(Cl)c2cccnc12)c1ccco1
InChIInChI=1S/C14H8ClNO3/c15-10-5-6-11(13-9(10)3-1-7-16-13)19-14(17)12-4-2-8-18-12/h1-8H
InChIKeyANWBJZCIAVOROI-UHFFFAOYSA-N
MW273.68 g/mol
LogP3.70
Rot. Bonds2

About (5-chloroquinolin-8-yl) furan-2-carboxylate

(5-chloroquinolin-8-yl) furan-2-carboxylate (PubChem CID 699693) has the molecular formula C14H8ClNO3 and a molecular weight of 273.68 g/mol. Its IUPAC name is (5-chloroquinolin-8-yl) furan-2-carboxylate.

Molecular Properties

Compound Name(5-chloroquinolin-8-yl) furan-2-carboxylate
PubChem CID699693
Molecular FormulaC14H8ClNO3
Molecular Weight273.68 g/mol
Exact Mass273.02
IUPAC Name(5-chloroquinolin-8-yl) furan-2-carboxylate
SMILESO=C(Oc1ccc(Cl)c2cccnc12)c1ccco1
InChIInChI=1S/C14H8ClNO3/c15-10-5-6-11(13-9(10)3-1-7-16-13)19-14(17)12-4-2-8-18-12/h1-8H
InChIKeyANWBJZCIAVOROI-UHFFFAOYSA-N
XLogP3.70
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Cloquintocet-mexyl
CID 93528
Chloroacetoxyquinoline
CID 2718
Quazolast
CID 24747
Cloquintocet
CID 15257197
3-Pyridinecarboxylic acid (5-chloro-8-quinolinyl) ester
CID 746299
quinolin-8-yl (E)-3-(furan-2-yl)prop-2-enoate
CID 778948
Ethyl 5-chloro[1,3]oxazolo[4,5-h]quinoline-2-carboxylate
CID 13472872
Sodium 5-chloro-[1,3]oxazolo[4,5-h]quinoline-2-carboxylate
CID 23713659
(5-Chloro-7-iodo-quinolin-8-yloxy)-acetic acid
CID 2393499
5,7-Dichloroquinolin-8-yl furan-2-carboxylate
CID 686057
8-Quinolinyl 3-(2-furyl)acrylate
CID 1962944
5-Chloro-7-(morpholinomethyl)quinolin-8-yl furan-2-carboxylate
CID 1279809

Frequently Asked Questions

What is the IUPAC name of (5-chloroquinolin-8-yl) furan-2-carboxylate?
The IUPAC name of (5-chloroquinolin-8-yl) furan-2-carboxylate (CID 699693) is (5-chloroquinolin-8-yl) furan-2-carboxylate.
What is the SMILES notation for (5-chloroquinolin-8-yl) furan-2-carboxylate?
The canonical SMILES for (5-chloroquinolin-8-yl) furan-2-carboxylate is O=C(Oc1ccc(Cl)c2cccnc12)c1ccco1.
What is the InChIKey of (5-chloroquinolin-8-yl) furan-2-carboxylate?
The InChIKey is ANWBJZCIAVOROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClNO3/c15-10-5-6-11(13-9(10)3-1-7-16-13)19-14(17)12-4-2-8-18-12/h1-8H.
What are the key properties of (5-chloroquinolin-8-yl) furan-2-carboxylate?
(5-chloroquinolin-8-yl) furan-2-carboxylate has a molecular weight of 273.68 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloroquinolin-8-yl) furan-2-carboxylate is sourced from PubChem (CID 699693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).