(3-bromoquinolin-2-yl)-(3-chloro-4-methylphenyl)methanone

C17H11BrClNO — CID 107559916

IUPAC(3-bromoquinolin-2-yl)-(3-chloro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2nc3ccccc3cc2Br)cc1Cl
InChIInChI=1S/C17H11BrClNO/c1-10-6-7-12(9-14(10)19)17(21)16-13(18)8-11-4-2-3-5-15(11)20-16/h2-9H,1H3
InChIKeyCCSVPUPOWXHXSD-UHFFFAOYSA-N
MW360.64 g/mol
LogP5.19
Rot. Bonds2

About (3-bromoquinolin-2-yl)-(3-chloro-4-methylphenyl)methanone

(3-bromoquinolin-2-yl)-(3-chloro-4-methylphenyl)methanone (PubChem CID 107559916) has the molecular formula C17H11BrClNO and a molecular weight of 360.64 g/mol. Its IUPAC name is (3-bromoquinolin-2-yl)-(3-chloro-4-methylphenyl)methanone.

Molecular Properties

Compound Name(3-bromoquinolin-2-yl)-(3-chloro-4-methylphenyl)methanone
PubChem CID107559916
Molecular FormulaC17H11BrClNO
Molecular Weight360.64 g/mol
Exact Mass358.97
IUPAC Name(3-bromoquinolin-2-yl)-(3-chloro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2nc3ccccc3cc2Br)cc1Cl
InChIInChI=1S/C17H11BrClNO/c1-10-6-7-12(9-14(10)19)17(21)16-13(18)8-11-4-2-3-5-15(11)20-16/h2-9H,1H3
InChIKeyCCSVPUPOWXHXSD-UHFFFAOYSA-N
XLogP5.19
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.64
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-bromoquinolin-2-yl)-(3-chloro-4-methylphenyl)methanone?
The IUPAC name of (3-bromoquinolin-2-yl)-(3-chloro-4-methylphenyl)methanone (CID 107559916) is (3-bromoquinolin-2-yl)-(3-chloro-4-methylphenyl)methanone.
What is the SMILES notation for (3-bromoquinolin-2-yl)-(3-chloro-4-methylphenyl)methanone?
The canonical SMILES for (3-bromoquinolin-2-yl)-(3-chloro-4-methylphenyl)methanone is Cc1ccc(C(=O)c2nc3ccccc3cc2Br)cc1Cl.
What is the InChIKey of (3-bromoquinolin-2-yl)-(3-chloro-4-methylphenyl)methanone?
The InChIKey is CCSVPUPOWXHXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrClNO/c1-10-6-7-12(9-14(10)19)17(21)16-13(18)8-11-4-2-3-5-15(11)20-16/h2-9H,1H3.
What are the key properties of (3-bromoquinolin-2-yl)-(3-chloro-4-methylphenyl)methanone?
(3-bromoquinolin-2-yl)-(3-chloro-4-methylphenyl)methanone has a molecular weight of 360.64 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromoquinolin-2-yl)-(3-chloro-4-methylphenyl)methanone is sourced from PubChem (CID 107559916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).