(2-amino-5-bromophenyl)-(2-methylquinolin-6-yl)methanone

C17H13BrN2O — CID 82697228

IUPAC(2-amino-5-bromophenyl)-(2-methylquinolin-6-yl)methanone
SMILESCc1ccc2cc(C(=O)c3cc(Br)ccc3N)ccc2n1
InChIInChI=1S/C17H13BrN2O/c1-10-2-3-11-8-12(4-7-16(11)20-10)17(21)14-9-13(18)5-6-15(14)19/h2-9H,19H2,1H3
InChIKeyDRSWEHXJLBHXOX-UHFFFAOYSA-N
MW341.21 g/mol
LogP4.12
Rot. Bonds2

About (2-amino-5-bromophenyl)-(2-methylquinolin-6-yl)methanone

(2-amino-5-bromophenyl)-(2-methylquinolin-6-yl)methanone (PubChem CID 82697228) has the molecular formula C17H13BrN2O and a molecular weight of 341.21 g/mol. Its IUPAC name is (2-amino-5-bromophenyl)-(2-methylquinolin-6-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-bromophenyl)-(2-methylquinolin-6-yl)methanone
PubChem CID82697228
Molecular FormulaC17H13BrN2O
Molecular Weight341.21 g/mol
Exact Mass340.02
IUPAC Name(2-amino-5-bromophenyl)-(2-methylquinolin-6-yl)methanone
SMILESCc1ccc2cc(C(=O)c3cc(Br)ccc3N)ccc2n1
InChIInChI=1S/C17H13BrN2O/c1-10-2-3-11-8-12(4-7-16(11)20-10)17(21)14-9-13(18)5-6-15(14)19/h2-9H,19H2,1H3
InChIKeyDRSWEHXJLBHXOX-UHFFFAOYSA-N
XLogP4.12
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 54.12
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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Related Compounds

(2-amino-5-bromophenyl)-quinolin-7-ylmethanone
CID 82704143
(3-methylphenyl)-(2-methylquinolin-6-yl)methanone
CID 81216684
(2-amino-5-bromophenyl)-(6-methyl-2-pyridinyl)methanone
CID 125388533
(2-bromo-6-fluorophenyl)-(2-methylquinolin-6-yl)methanone
CID 114885310
(2-amino-5-bromophenyl)-(7-ethoxynaphthalen-2-yl)methanone
CID 138983241
(4-iodophenyl)-(2-methylquinolin-6-yl)methanone
CID 115790394
(2-methylquinolin-6-yl)-pyridazin-4-ylmethanone
CID 105121470
(3-chloro-4-methylphenyl)-(2-methylquinolin-6-yl)methanone
CID 115790445
(3-methyl-2-pyridinyl)-(2-methylquinolin-6-yl)methanone
CID 81220178
2-amino-1-(2-methylquinolin-6-yl)propan-1-one
CID 116551720
(2-methylquinolin-6-yl)-thiophen-3-ylmethanone
CID 81216754
(6-bromonaphthalen-2-yl)-(4-methyl-3-pyridinyl)methanone
CID 115781346

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-bromophenyl)-(2-methylquinolin-6-yl)methanone?
The IUPAC name of (2-amino-5-bromophenyl)-(2-methylquinolin-6-yl)methanone (CID 82697228) is (2-amino-5-bromophenyl)-(2-methylquinolin-6-yl)methanone.
What is the SMILES notation for (2-amino-5-bromophenyl)-(2-methylquinolin-6-yl)methanone?
The canonical SMILES for (2-amino-5-bromophenyl)-(2-methylquinolin-6-yl)methanone is Cc1ccc2cc(C(=O)c3cc(Br)ccc3N)ccc2n1.
What is the InChIKey of (2-amino-5-bromophenyl)-(2-methylquinolin-6-yl)methanone?
The InChIKey is DRSWEHXJLBHXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O/c1-10-2-3-11-8-12(4-7-16(11)20-10)17(21)14-9-13(18)5-6-15(14)19/h2-9H,19H2,1H3.
What are the key properties of (2-amino-5-bromophenyl)-(2-methylquinolin-6-yl)methanone?
(2-amino-5-bromophenyl)-(2-methylquinolin-6-yl)methanone has a molecular weight of 341.21 g/mol, XLogP of 4.12, 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)-(2-methylquinolin-6-yl)methanone is sourced from PubChem (CID 82697228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).