6-bromo-2-phenylquinoline-4-carboxamide

C16H11BrN2O — CID 2803005

IUPAC6-bromo-2-phenylquinoline-4-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)nc2ccc(Br)cc12
InChIInChI=1S/C16H11BrN2O/c17-11-6-7-14-12(8-11)13(16(18)20)9-15(19-14)10-4-2-1-3-5-10/h1-9H,(H2,18,20)
InChIKeyHHZPNIXGQKNKDQ-UHFFFAOYSA-N
MW327.18 g/mol
LogP3.76
Rot. Bonds2

About 6-bromo-2-phenylquinoline-4-carboxamide

6-bromo-2-phenylquinoline-4-carboxamide (PubChem CID 2803005) has the molecular formula C16H11BrN2O and a molecular weight of 327.18 g/mol. Its IUPAC name is 6-bromo-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-2-phenylquinoline-4-carboxamide
PubChem CID2803005
Molecular FormulaC16H11BrN2O
Molecular Weight327.18 g/mol
Exact Mass326.01
IUPAC Name6-bromo-2-phenylquinoline-4-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)nc2ccc(Br)cc12
InChIInChI=1S/C16H11BrN2O/c17-11-6-7-14-12(8-11)13(16(18)20)9-15(19-14)10-4-2-1-3-5-10/h1-9H,(H2,18,20)
InChIKeyHHZPNIXGQKNKDQ-UHFFFAOYSA-N
XLogP3.76
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-phenylquinoline-4-carboxamide?
The IUPAC name of 6-bromo-2-phenylquinoline-4-carboxamide (CID 2803005) is 6-bromo-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-2-phenylquinoline-4-carboxamide?
The canonical SMILES for 6-bromo-2-phenylquinoline-4-carboxamide is NC(=O)c1cc(-c2ccccc2)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-2-phenylquinoline-4-carboxamide?
The InChIKey is HHZPNIXGQKNKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2O/c17-11-6-7-14-12(8-11)13(16(18)20)9-15(19-14)10-4-2-1-3-5-10/h1-9H,(H2,18,20).
What are the key properties of 6-bromo-2-phenylquinoline-4-carboxamide?
6-bromo-2-phenylquinoline-4-carboxamide has a molecular weight of 327.18 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 2803005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).