6-bromo-N-quinolin-3-ylnaphthalene-2-carboxamide

C20H13BrN2O — CID 11538093

IUPAC6-bromo-N-quinolin-3-ylnaphthalene-2-carboxamide
SMILESO=C(Nc1cnc2ccccc2c1)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C20H13BrN2O/c21-17-8-7-13-9-16(6-5-14(13)10-17)20(24)23-18-11-15-3-1-2-4-19(15)22-12-18/h1-12H,(H,23,24)
InChIKeyYXYHUKLGPUVWIJ-UHFFFAOYSA-N
MW377.24 g/mol
LogP5.40
Rot. Bonds2

About 6-bromo-N-quinolin-3-ylnaphthalene-2-carboxamide

6-bromo-N-quinolin-3-ylnaphthalene-2-carboxamide (PubChem CID 11538093) has the molecular formula C20H13BrN2O and a molecular weight of 377.24 g/mol. Its IUPAC name is 6-bromo-N-quinolin-3-ylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-quinolin-3-ylnaphthalene-2-carboxamide
PubChem CID11538093
Molecular FormulaC20H13BrN2O
Molecular Weight377.24 g/mol
Exact Mass376.02
IUPAC Name6-bromo-N-quinolin-3-ylnaphthalene-2-carboxamide
SMILESO=C(Nc1cnc2ccccc2c1)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C20H13BrN2O/c21-17-8-7-13-9-16(6-5-14(13)10-17)20(24)23-18-11-15-3-1-2-4-19(15)22-12-18/h1-12H,(H,23,24)
InChIKeyYXYHUKLGPUVWIJ-UHFFFAOYSA-N
XLogP5.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.24
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-quinolin-3-ylnaphthalene-2-carboxamide?
The IUPAC name of 6-bromo-N-quinolin-3-ylnaphthalene-2-carboxamide (CID 11538093) is 6-bromo-N-quinolin-3-ylnaphthalene-2-carboxamide.
What is the SMILES notation for 6-bromo-N-quinolin-3-ylnaphthalene-2-carboxamide?
The canonical SMILES for 6-bromo-N-quinolin-3-ylnaphthalene-2-carboxamide is O=C(Nc1cnc2ccccc2c1)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 6-bromo-N-quinolin-3-ylnaphthalene-2-carboxamide?
The InChIKey is YXYHUKLGPUVWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrN2O/c21-17-8-7-13-9-16(6-5-14(13)10-17)20(24)23-18-11-15-3-1-2-4-19(15)22-12-18/h1-12H,(H,23,24).
What are the key properties of 6-bromo-N-quinolin-3-ylnaphthalene-2-carboxamide?
6-bromo-N-quinolin-3-ylnaphthalene-2-carboxamide has a molecular weight of 377.24 g/mol, XLogP of 5.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-quinolin-3-ylnaphthalene-2-carboxamide is sourced from PubChem (CID 11538093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).