(4-amino-2-phenylquinolin-3-yl)-(4-bromophenyl)methanone

C22H15BrN2O — CID 23643299

IUPAC(4-amino-2-phenylquinolin-3-yl)-(4-bromophenyl)methanone
SMILESNc1c(C(=O)c2ccc(Br)cc2)c(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C22H15BrN2O/c23-16-12-10-15(11-13-16)22(26)19-20(24)17-8-4-5-9-18(17)25-21(19)14-6-2-1-3-7-14/h1-13H,(H2,24,25)
InChIKeyJHLDUBBXKOYGBR-UHFFFAOYSA-N
MW403.28 g/mol
LogP5.48
Rot. Bonds3

About (4-amino-2-phenylquinolin-3-yl)-(4-bromophenyl)methanone

(4-amino-2-phenylquinolin-3-yl)-(4-bromophenyl)methanone (PubChem CID 23643299) has the molecular formula C22H15BrN2O and a molecular weight of 403.28 g/mol. Its IUPAC name is (4-amino-2-phenylquinolin-3-yl)-(4-bromophenyl)methanone.

Molecular Properties

Compound Name(4-amino-2-phenylquinolin-3-yl)-(4-bromophenyl)methanone
PubChem CID23643299
Molecular FormulaC22H15BrN2O
Molecular Weight403.28 g/mol
Exact Mass402.04
IUPAC Name(4-amino-2-phenylquinolin-3-yl)-(4-bromophenyl)methanone
SMILESNc1c(C(=O)c2ccc(Br)cc2)c(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C22H15BrN2O/c23-16-12-10-15(11-13-16)22(26)19-20(24)17-8-4-5-9-18(17)25-21(19)14-6-2-1-3-7-14/h1-13H,(H2,24,25)
InChIKeyJHLDUBBXKOYGBR-UHFFFAOYSA-N
XLogP5.48
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.28
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-amino-2-phenylquinolin-3-yl)-(4-bromophenyl)methanone?
The IUPAC name of (4-amino-2-phenylquinolin-3-yl)-(4-bromophenyl)methanone (CID 23643299) is (4-amino-2-phenylquinolin-3-yl)-(4-bromophenyl)methanone.
What is the SMILES notation for (4-amino-2-phenylquinolin-3-yl)-(4-bromophenyl)methanone?
The canonical SMILES for (4-amino-2-phenylquinolin-3-yl)-(4-bromophenyl)methanone is Nc1c(C(=O)c2ccc(Br)cc2)c(-c2ccccc2)nc2ccccc12.
What is the InChIKey of (4-amino-2-phenylquinolin-3-yl)-(4-bromophenyl)methanone?
The InChIKey is JHLDUBBXKOYGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrN2O/c23-16-12-10-15(11-13-16)22(26)19-20(24)17-8-4-5-9-18(17)25-21(19)14-6-2-1-3-7-14/h1-13H,(H2,24,25).
What are the key properties of (4-amino-2-phenylquinolin-3-yl)-(4-bromophenyl)methanone?
(4-amino-2-phenylquinolin-3-yl)-(4-bromophenyl)methanone has a molecular weight of 403.28 g/mol, XLogP of 5.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-phenylquinolin-3-yl)-(4-bromophenyl)methanone is sourced from PubChem (CID 23643299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).