6-bromo-N-[2-(2-methoxyphenyl)propyl]-3-methyl-2-phenylquinoline-4-carboxamide

C27H25BrN2O2 — CID 162659434

IUPAC6-bromo-N-[2-(2-methoxyphenyl)propyl]-3-methyl-2-phenylquinoline-4-carboxamide
SMILESCOc1ccccc1C(C)CNC(=O)c1c(C)c(-c2ccccc2)nc2ccc(Br)cc12
InChIInChI=1S/C27H25BrN2O2/c1-17(21-11-7-8-12-24(21)32-3)16-29-27(31)25-18(2)26(19-9-5-4-6-10-19)30-23-14-13-20(28)15-22(23)25/h4-15,17H,16H2,1-3H3,(H,29,31)
InChIKeyXUWIMBOVFJGMEM-UHFFFAOYSA-N
MW489.41 g/mol
LogP6.51
Rot. Bonds6

About 6-bromo-N-[2-(2-methoxyphenyl)propyl]-3-methyl-2-phenylquinoline-4-carboxamide

6-bromo-N-[2-(2-methoxyphenyl)propyl]-3-methyl-2-phenylquinoline-4-carboxamide (PubChem CID 162659434) has the molecular formula C27H25BrN2O2 and a molecular weight of 489.41 g/mol. Its IUPAC name is 6-bromo-N-[2-(2-methoxyphenyl)propyl]-3-methyl-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[2-(2-methoxyphenyl)propyl]-3-methyl-2-phenylquinoline-4-carboxamide
PubChem CID162659434
Molecular FormulaC27H25BrN2O2
Molecular Weight489.41 g/mol
Exact Mass488.11
IUPAC Name6-bromo-N-[2-(2-methoxyphenyl)propyl]-3-methyl-2-phenylquinoline-4-carboxamide
SMILESCOc1ccccc1C(C)CNC(=O)c1c(C)c(-c2ccccc2)nc2ccc(Br)cc12
InChIInChI=1S/C27H25BrN2O2/c1-17(21-11-7-8-12-24(21)32-3)16-29-27(31)25-18(2)26(19-9-5-4-6-10-19)30-23-14-13-20(28)15-22(23)25/h4-15,17H,16H2,1-3H3,(H,29,31)
InChIKeyXUWIMBOVFJGMEM-UHFFFAOYSA-N
XLogP6.51
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.41
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-(2-methoxyphenyl)propyl]-3-methyl-2-phenylquinoline-4-carboxamide?
The IUPAC name of 6-bromo-N-[2-(2-methoxyphenyl)propyl]-3-methyl-2-phenylquinoline-4-carboxamide (CID 162659434) is 6-bromo-N-[2-(2-methoxyphenyl)propyl]-3-methyl-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-N-[2-(2-methoxyphenyl)propyl]-3-methyl-2-phenylquinoline-4-carboxamide?
The canonical SMILES for 6-bromo-N-[2-(2-methoxyphenyl)propyl]-3-methyl-2-phenylquinoline-4-carboxamide is COc1ccccc1C(C)CNC(=O)c1c(C)c(-c2ccccc2)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-N-[2-(2-methoxyphenyl)propyl]-3-methyl-2-phenylquinoline-4-carboxamide?
The InChIKey is XUWIMBOVFJGMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25BrN2O2/c1-17(21-11-7-8-12-24(21)32-3)16-29-27(31)25-18(2)26(19-9-5-4-6-10-19)30-23-14-13-20(28)15-22(23)25/h4-15,17H,16H2,1-3H3,(H,29,31).
What are the key properties of 6-bromo-N-[2-(2-methoxyphenyl)propyl]-3-methyl-2-phenylquinoline-4-carboxamide?
6-bromo-N-[2-(2-methoxyphenyl)propyl]-3-methyl-2-phenylquinoline-4-carboxamide has a molecular weight of 489.41 g/mol, XLogP of 6.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-(2-methoxyphenyl)propyl]-3-methyl-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 162659434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).