(7-chloro-6-fluoroquinolin-4-yl) propanoate

C12H9ClFNO2 — CID 174271656

IUPAC(7-chloro-6-fluoroquinolin-4-yl) propanoate
SMILESCCC(=O)Oc1ccnc2cc(Cl)c(F)cc12
InChIInChI=1S/C12H9ClFNO2/c1-2-12(16)17-11-3-4-15-10-6-8(13)9(14)5-7(10)11/h3-6H,2H2,1H3
InChIKeyZWEKSJRDSRDKOI-UHFFFAOYSA-N
MW253.66 g/mol
LogP3.34
Rot. Bonds2

About (7-chloro-6-fluoroquinolin-4-yl) propanoate

(7-chloro-6-fluoroquinolin-4-yl) propanoate (PubChem CID 174271656) has the molecular formula C12H9ClFNO2 and a molecular weight of 253.66 g/mol. Its IUPAC name is (7-chloro-6-fluoroquinolin-4-yl) propanoate.

Molecular Properties

Compound Name(7-chloro-6-fluoroquinolin-4-yl) propanoate
PubChem CID174271656
Molecular FormulaC12H9ClFNO2
Molecular Weight253.66 g/mol
Exact Mass253.03
IUPAC Name(7-chloro-6-fluoroquinolin-4-yl) propanoate
SMILESCCC(=O)Oc1ccnc2cc(Cl)c(F)cc12
InChIInChI=1S/C12H9ClFNO2/c1-2-12(16)17-11-3-4-15-10-6-8(13)9(14)5-7(10)11/h3-6H,2H2,1H3
InChIKeyZWEKSJRDSRDKOI-UHFFFAOYSA-N
XLogP3.34
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.66
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

quinolin-4-yl propanoate
CID 174834385
(2,4-difluorophenyl) propanoate
CID 18525986
(2-chloro-5-hydroxyphenyl) propanoate
CID 101441480
(5-chloro-2-methylphenyl) propanoate
CID 131155608
(2-chloro-4-fluorophenyl) butanoate
CID 151885359
(2,3-difluoro-4-pyridinyl) butanoate
CID 70080810
1-(7-chloroquinolin-4-yl)propan-1-one
CID 139684148
[4-chloro-5-fluoro-2-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl] propanoate
CID 167277823
di(propanoyloxy)boranyl 7-chloro-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate
CID 10938820
2-[[1-(6-chloro-7-fluoroquinolin-4-yl)piperidin-4-yl]-ethylamino]acetic acid
CID 122062223
(2-chloro-5-methoxyphenyl) propanoate
CID 91527041
(2-chloro-6-methoxyphenyl) propanoate
CID 67392608

Frequently Asked Questions

What is the IUPAC name of (7-chloro-6-fluoroquinolin-4-yl) propanoate?
The IUPAC name of (7-chloro-6-fluoroquinolin-4-yl) propanoate (CID 174271656) is (7-chloro-6-fluoroquinolin-4-yl) propanoate.
What is the SMILES notation for (7-chloro-6-fluoroquinolin-4-yl) propanoate?
The canonical SMILES for (7-chloro-6-fluoroquinolin-4-yl) propanoate is CCC(=O)Oc1ccnc2cc(Cl)c(F)cc12.
What is the InChIKey of (7-chloro-6-fluoroquinolin-4-yl) propanoate?
The InChIKey is ZWEKSJRDSRDKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO2/c1-2-12(16)17-11-3-4-15-10-6-8(13)9(14)5-7(10)11/h3-6H,2H2,1H3.
What are the key properties of (7-chloro-6-fluoroquinolin-4-yl) propanoate?
(7-chloro-6-fluoroquinolin-4-yl) propanoate has a molecular weight of 253.66 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-6-fluoroquinolin-4-yl) propanoate is sourced from PubChem (CID 174271656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).