6-bromo-2-(8-chloro-2-methylquinolin-4-yl)-2,3-dihydrochromen-4-one

C19H13BrClNO2 — CID 132571086

IUPAC6-bromo-2-(8-chloro-2-methylquinolin-4-yl)-2,3-dihydrochromen-4-one
SMILESCc1cc(C2CC(=O)c3cc(Br)ccc3O2)c2cccc(Cl)c2n1
InChIInChI=1S/C19H13BrClNO2/c1-10-7-13(12-3-2-4-15(21)19(12)22-10)18-9-16(23)14-8-11(20)5-6-17(14)24-18/h2-8,18H,9H2,1H3
InChIKeyFGCMRTXGGXLJAW-UHFFFAOYSA-N
MW402.68 g/mol
LogP5.67
Rot. Bonds1

About 6-bromo-2-(8-chloro-2-methylquinolin-4-yl)-2,3-dihydrochromen-4-one

6-bromo-2-(8-chloro-2-methylquinolin-4-yl)-2,3-dihydrochromen-4-one (PubChem CID 132571086) has the molecular formula C19H13BrClNO2 and a molecular weight of 402.68 g/mol. Its IUPAC name is 6-bromo-2-(8-chloro-2-methylquinolin-4-yl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-bromo-2-(8-chloro-2-methylquinolin-4-yl)-2,3-dihydrochromen-4-one
PubChem CID132571086
Molecular FormulaC19H13BrClNO2
Molecular Weight402.68 g/mol
Exact Mass400.98
IUPAC Name6-bromo-2-(8-chloro-2-methylquinolin-4-yl)-2,3-dihydrochromen-4-one
SMILESCc1cc(C2CC(=O)c3cc(Br)ccc3O2)c2cccc(Cl)c2n1
InChIInChI=1S/C19H13BrClNO2/c1-10-7-13(12-3-2-4-15(21)19(12)22-10)18-9-16(23)14-8-11(20)5-6-17(14)24-18/h2-8,18H,9H2,1H3
InChIKeyFGCMRTXGGXLJAW-UHFFFAOYSA-N
XLogP5.67
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.68
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(8-chloro-2-methylquinolin-4-yl)-2,3-dihydrochromen-4-one?
The IUPAC name of 6-bromo-2-(8-chloro-2-methylquinolin-4-yl)-2,3-dihydrochromen-4-one (CID 132571086) is 6-bromo-2-(8-chloro-2-methylquinolin-4-yl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-bromo-2-(8-chloro-2-methylquinolin-4-yl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-bromo-2-(8-chloro-2-methylquinolin-4-yl)-2,3-dihydrochromen-4-one is Cc1cc(C2CC(=O)c3cc(Br)ccc3O2)c2cccc(Cl)c2n1.
What is the InChIKey of 6-bromo-2-(8-chloro-2-methylquinolin-4-yl)-2,3-dihydrochromen-4-one?
The InChIKey is FGCMRTXGGXLJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrClNO2/c1-10-7-13(12-3-2-4-15(21)19(12)22-10)18-9-16(23)14-8-11(20)5-6-17(14)24-18/h2-8,18H,9H2,1H3.
What are the key properties of 6-bromo-2-(8-chloro-2-methylquinolin-4-yl)-2,3-dihydrochromen-4-one?
6-bromo-2-(8-chloro-2-methylquinolin-4-yl)-2,3-dihydrochromen-4-one has a molecular weight of 402.68 g/mol, XLogP of 5.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(8-chloro-2-methylquinolin-4-yl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 132571086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).