5-bromo-N-quinolin-8-ylnaphthalene-1-carboxamide

C20H13BrN2O — CID 1254486

IUPAC5-bromo-N-quinolin-8-ylnaphthalene-1-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1cccc2c(Br)cccc12
InChIInChI=1S/C20H13BrN2O/c21-17-10-3-7-14-15(17)8-2-9-16(14)20(24)23-18-11-1-5-13-6-4-12-22-19(13)18/h1-12H,(H,23,24)
InChIKeyWXTLINQDRAIICK-UHFFFAOYSA-N
MW377.24 g/mol
LogP5.40
Rot. Bonds2

About 5-bromo-N-quinolin-8-ylnaphthalene-1-carboxamide

5-bromo-N-quinolin-8-ylnaphthalene-1-carboxamide (PubChem CID 1254486) has the molecular formula C20H13BrN2O and a molecular weight of 377.24 g/mol. Its IUPAC name is 5-bromo-N-quinolin-8-ylnaphthalene-1-carboxamide.

Molecular Properties

Compound Name5-bromo-N-quinolin-8-ylnaphthalene-1-carboxamide
PubChem CID1254486
Molecular FormulaC20H13BrN2O
Molecular Weight377.24 g/mol
Exact Mass376.02
IUPAC Name5-bromo-N-quinolin-8-ylnaphthalene-1-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1cccc2c(Br)cccc12
InChIInChI=1S/C20H13BrN2O/c21-17-10-3-7-14-15(17)8-2-9-16(14)20(24)23-18-11-1-5-13-6-4-12-22-19(13)18/h1-12H,(H,23,24)
InChIKeyWXTLINQDRAIICK-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 5-bromo-N-quinolin-8-ylnaphthalene-1-carboxamide?
The IUPAC name of 5-bromo-N-quinolin-8-ylnaphthalene-1-carboxamide (CID 1254486) is 5-bromo-N-quinolin-8-ylnaphthalene-1-carboxamide.
What is the SMILES notation for 5-bromo-N-quinolin-8-ylnaphthalene-1-carboxamide?
The canonical SMILES for 5-bromo-N-quinolin-8-ylnaphthalene-1-carboxamide is O=C(Nc1cccc2cccnc12)c1cccc2c(Br)cccc12.
What is the InChIKey of 5-bromo-N-quinolin-8-ylnaphthalene-1-carboxamide?
The InChIKey is WXTLINQDRAIICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrN2O/c21-17-10-3-7-14-15(17)8-2-9-16(14)20(24)23-18-11-1-5-13-6-4-12-22-19(13)18/h1-12H,(H,23,24).
What are the key properties of 5-bromo-N-quinolin-8-ylnaphthalene-1-carboxamide?
5-bromo-N-quinolin-8-ylnaphthalene-1-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 5-bromo-N-quinolin-8-ylnaphthalene-1-carboxamide is sourced from PubChem (CID 1254486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).