(2-amino-5-bromophenyl)-quinolin-7-ylmethanone

C16H11BrN2O — CID 82704143

IUPAC(2-amino-5-bromophenyl)-quinolin-7-ylmethanone
SMILESNc1ccc(Br)cc1C(=O)c1ccc2cccnc2c1
InChIInChI=1S/C16H11BrN2O/c17-12-5-6-14(18)13(9-12)16(20)11-4-3-10-2-1-7-19-15(10)8-11/h1-9H,18H2
InChIKeyGHUKIMIVMRTVFO-UHFFFAOYSA-N
MW327.18 g/mol
LogP3.81
Rot. Bonds2

About (2-amino-5-bromophenyl)-quinolin-7-ylmethanone

(2-amino-5-bromophenyl)-quinolin-7-ylmethanone (PubChem CID 82704143) has the molecular formula C16H11BrN2O and a molecular weight of 327.18 g/mol. Its IUPAC name is (2-amino-5-bromophenyl)-quinolin-7-ylmethanone.

Molecular Properties

Compound Name(2-amino-5-bromophenyl)-quinolin-7-ylmethanone
PubChem CID82704143
Molecular FormulaC16H11BrN2O
Molecular Weight327.18 g/mol
Exact Mass326.01
IUPAC Name(2-amino-5-bromophenyl)-quinolin-7-ylmethanone
SMILESNc1ccc(Br)cc1C(=O)c1ccc2cccnc2c1
InChIInChI=1S/C16H11BrN2O/c17-12-5-6-14(18)13(9-12)16(20)11-4-3-10-2-1-7-19-15(10)8-11/h1-9H,18H2
InChIKeyGHUKIMIVMRTVFO-UHFFFAOYSA-N
XLogP3.81
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-amino-5-bromophenyl)-quinolin-7-ylmethanone?
The IUPAC name of (2-amino-5-bromophenyl)-quinolin-7-ylmethanone (CID 82704143) is (2-amino-5-bromophenyl)-quinolin-7-ylmethanone.
What is the SMILES notation for (2-amino-5-bromophenyl)-quinolin-7-ylmethanone?
The canonical SMILES for (2-amino-5-bromophenyl)-quinolin-7-ylmethanone is Nc1ccc(Br)cc1C(=O)c1ccc2cccnc2c1.
What is the InChIKey of (2-amino-5-bromophenyl)-quinolin-7-ylmethanone?
The InChIKey is GHUKIMIVMRTVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2O/c17-12-5-6-14(18)13(9-12)16(20)11-4-3-10-2-1-7-19-15(10)8-11/h1-9H,18H2.
What are the key properties of (2-amino-5-bromophenyl)-quinolin-7-ylmethanone?
(2-amino-5-bromophenyl)-quinolin-7-ylmethanone has a molecular weight of 327.18 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-bromophenyl)-quinolin-7-ylmethanone is sourced from PubChem (CID 82704143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).