N-(5-bromoquinolin-8-yl)naphthalene-1-carboxamide

C20H13BrN2O — CID 1280557

IUPACN-(5-bromoquinolin-8-yl)naphthalene-1-carboxamide
SMILESO=C(Nc1ccc(Br)c2cccnc12)c1cccc2ccccc12
InChIInChI=1S/C20H13BrN2O/c21-17-10-11-18(19-16(17)9-4-12-22-19)23-20(24)15-8-3-6-13-5-1-2-7-14(13)15/h1-12H,(H,23,24)
InChIKeyWAGIUQSPMPFYSZ-UHFFFAOYSA-N
MW377.24 g/mol
LogP5.40
Rot. Bonds2

About N-(5-bromoquinolin-8-yl)naphthalene-1-carboxamide

N-(5-bromoquinolin-8-yl)naphthalene-1-carboxamide (PubChem CID 1280557) has the molecular formula C20H13BrN2O and a molecular weight of 377.24 g/mol. Its IUPAC name is N-(5-bromoquinolin-8-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(5-bromoquinolin-8-yl)naphthalene-1-carboxamide
PubChem CID1280557
Molecular FormulaC20H13BrN2O
Molecular Weight377.24 g/mol
Exact Mass376.02
IUPAC NameN-(5-bromoquinolin-8-yl)naphthalene-1-carboxamide
SMILESO=C(Nc1ccc(Br)c2cccnc12)c1cccc2ccccc12
InChIInChI=1S/C20H13BrN2O/c21-17-10-11-18(19-16(17)9-4-12-22-19)23-20(24)15-8-3-6-13-5-1-2-7-14(13)15/h1-12H,(H,23,24)
InChIKeyWAGIUQSPMPFYSZ-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 N-(5-bromoquinolin-8-yl)naphthalene-1-carboxamide?
The IUPAC name of N-(5-bromoquinolin-8-yl)naphthalene-1-carboxamide (CID 1280557) is N-(5-bromoquinolin-8-yl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(5-bromoquinolin-8-yl)naphthalene-1-carboxamide?
The canonical SMILES for N-(5-bromoquinolin-8-yl)naphthalene-1-carboxamide is O=C(Nc1ccc(Br)c2cccnc12)c1cccc2ccccc12.
What is the InChIKey of N-(5-bromoquinolin-8-yl)naphthalene-1-carboxamide?
The InChIKey is WAGIUQSPMPFYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrN2O/c21-17-10-11-18(19-16(17)9-4-12-22-19)23-20(24)15-8-3-6-13-5-1-2-7-14(13)15/h1-12H,(H,23,24).
What are the key properties of N-(5-bromoquinolin-8-yl)naphthalene-1-carboxamide?
N-(5-bromoquinolin-8-yl)naphthalene-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 N-(5-bromoquinolin-8-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 1280557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).