2-(4-chloroquinolin-2-yl)-2,3-dihydrochromen-4-one

C18H12ClNO2 — CID 132571075

IUPAC2-(4-chloroquinolin-2-yl)-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2cc(Cl)c3ccccc3n2)Oc2ccccc21
InChIInChI=1S/C18H12ClNO2/c19-13-9-15(20-14-7-3-1-5-11(13)14)18-10-16(21)12-6-2-4-8-17(12)22-18/h1-9,18H,10H2
InChIKeyJAIIUUVAILZXLP-UHFFFAOYSA-N
MW309.75 g/mol
LogP4.59
Rot. Bonds1

About 2-(4-chloroquinolin-2-yl)-2,3-dihydrochromen-4-one

2-(4-chloroquinolin-2-yl)-2,3-dihydrochromen-4-one (PubChem CID 132571075) has the molecular formula C18H12ClNO2 and a molecular weight of 309.75 g/mol. Its IUPAC name is 2-(4-chloroquinolin-2-yl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-(4-chloroquinolin-2-yl)-2,3-dihydrochromen-4-one
PubChem CID132571075
Molecular FormulaC18H12ClNO2
Molecular Weight309.75 g/mol
Exact Mass309.06
IUPAC Name2-(4-chloroquinolin-2-yl)-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2cc(Cl)c3ccccc3n2)Oc2ccccc21
InChIInChI=1S/C18H12ClNO2/c19-13-9-15(20-14-7-3-1-5-11(13)14)18-10-16(21)12-6-2-4-8-17(12)22-18/h1-9,18H,10H2
InChIKeyJAIIUUVAILZXLP-UHFFFAOYSA-N
XLogP4.59
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroquinolin-2-yl)-2,3-dihydrochromen-4-one?
The IUPAC name of 2-(4-chloroquinolin-2-yl)-2,3-dihydrochromen-4-one (CID 132571075) is 2-(4-chloroquinolin-2-yl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-(4-chloroquinolin-2-yl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-(4-chloroquinolin-2-yl)-2,3-dihydrochromen-4-one is O=C1CC(c2cc(Cl)c3ccccc3n2)Oc2ccccc21.
What is the InChIKey of 2-(4-chloroquinolin-2-yl)-2,3-dihydrochromen-4-one?
The InChIKey is JAIIUUVAILZXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClNO2/c19-13-9-15(20-14-7-3-1-5-11(13)14)18-10-16(21)12-6-2-4-8-17(12)22-18/h1-9,18H,10H2.
What are the key properties of 2-(4-chloroquinolin-2-yl)-2,3-dihydrochromen-4-one?
2-(4-chloroquinolin-2-yl)-2,3-dihydrochromen-4-one has a molecular weight of 309.75 g/mol, XLogP of 4.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroquinolin-2-yl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 132571075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).