(2R)-2-(5-bromoquinolin-8-yl)-1,2-diphenylethanone

C23H16BrNO — CID 139093803

IUPAC(2R)-2-(5-bromoquinolin-8-yl)-1,2-diphenylethanone
SMILESO=C(c1ccccc1)[C@H](c1ccccc1)c1ccc(Br)c2cccnc12
InChIInChI=1S/C23H16BrNO/c24-20-14-13-19(22-18(20)12-7-15-25-22)21(16-8-3-1-4-9-16)23(26)17-10-5-2-6-11-17/h1-15,21H/t21-/m1/s1
InChIKeyBDVYDMLPZYPBKQ-OAQYLSRUSA-N
MW402.29 g/mol
LogP6.01
Rot. Bonds4

About (2R)-2-(5-bromoquinolin-8-yl)-1,2-diphenylethanone

(2R)-2-(5-bromoquinolin-8-yl)-1,2-diphenylethanone (PubChem CID 139093803) has the molecular formula C23H16BrNO and a molecular weight of 402.29 g/mol. Its IUPAC name is (2R)-2-(5-bromoquinolin-8-yl)-1,2-diphenylethanone.

Molecular Properties

Compound Name(2R)-2-(5-bromoquinolin-8-yl)-1,2-diphenylethanone
PubChem CID139093803
Molecular FormulaC23H16BrNO
Molecular Weight402.29 g/mol
Exact Mass401.04
IUPAC Name(2R)-2-(5-bromoquinolin-8-yl)-1,2-diphenylethanone
SMILESO=C(c1ccccc1)[C@H](c1ccccc1)c1ccc(Br)c2cccnc12
InChIInChI=1S/C23H16BrNO/c24-20-14-13-19(22-18(20)12-7-15-25-22)21(16-8-3-1-4-9-16)23(26)17-10-5-2-6-11-17/h1-15,21H/t21-/m1/s1
InChIKeyBDVYDMLPZYPBKQ-OAQYLSRUSA-N
XLogP6.01
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.29
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-bromoquinolin-8-yl)-1,2-diphenylethanone?
The IUPAC name of (2R)-2-(5-bromoquinolin-8-yl)-1,2-diphenylethanone (CID 139093803) is (2R)-2-(5-bromoquinolin-8-yl)-1,2-diphenylethanone.
What is the SMILES notation for (2R)-2-(5-bromoquinolin-8-yl)-1,2-diphenylethanone?
The canonical SMILES for (2R)-2-(5-bromoquinolin-8-yl)-1,2-diphenylethanone is O=C(c1ccccc1)[C@H](c1ccccc1)c1ccc(Br)c2cccnc12.
What is the InChIKey of (2R)-2-(5-bromoquinolin-8-yl)-1,2-diphenylethanone?
The InChIKey is BDVYDMLPZYPBKQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H16BrNO/c24-20-14-13-19(22-18(20)12-7-15-25-22)21(16-8-3-1-4-9-16)23(26)17-10-5-2-6-11-17/h1-15,21H/t21-/m1/s1.
What are the key properties of (2R)-2-(5-bromoquinolin-8-yl)-1,2-diphenylethanone?
(2R)-2-(5-bromoquinolin-8-yl)-1,2-diphenylethanone has a molecular weight of 402.29 g/mol, XLogP of 6.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-bromoquinolin-8-yl)-1,2-diphenylethanone is sourced from PubChem (CID 139093803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).