N-[2-(4-bromobutyl)quinolin-8-yl]benzamide

C20H19BrN2O — CID 154718852

IUPACN-[2-(4-bromobutyl)quinolin-8-yl]benzamide
SMILESO=C(Nc1cccc2ccc(CCCCBr)nc12)c1ccccc1
InChIInChI=1S/C20H19BrN2O/c21-14-5-4-10-17-13-12-15-9-6-11-18(19(15)22-17)23-20(24)16-7-2-1-3-8-16/h1-3,6-9,11-13H,4-5,10,14H2,(H,23,24)
InChIKeyMJXWKXOGXIZYDO-UHFFFAOYSA-N
MW383.29 g/mol
LogP5.20
Rot. Bonds6

About N-[2-(4-bromobutyl)quinolin-8-yl]benzamide

N-[2-(4-bromobutyl)quinolin-8-yl]benzamide (PubChem CID 154718852) has the molecular formula C20H19BrN2O and a molecular weight of 383.29 g/mol. Its IUPAC name is N-[2-(4-bromobutyl)quinolin-8-yl]benzamide.

Molecular Properties

Compound NameN-[2-(4-bromobutyl)quinolin-8-yl]benzamide
PubChem CID154718852
Molecular FormulaC20H19BrN2O
Molecular Weight383.29 g/mol
Exact Mass382.07
IUPAC NameN-[2-(4-bromobutyl)quinolin-8-yl]benzamide
SMILESO=C(Nc1cccc2ccc(CCCCBr)nc12)c1ccccc1
InChIInChI=1S/C20H19BrN2O/c21-14-5-4-10-17-13-12-15-9-6-11-18(19(15)22-17)23-20(24)16-7-2-1-3-8-16/h1-3,6-9,11-13H,4-5,10,14H2,(H,23,24)
InChIKeyMJXWKXOGXIZYDO-UHFFFAOYSA-N
XLogP5.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.29
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromobutyl)quinolin-8-yl]benzamide?
The IUPAC name of N-[2-(4-bromobutyl)quinolin-8-yl]benzamide (CID 154718852) is N-[2-(4-bromobutyl)quinolin-8-yl]benzamide.
What is the SMILES notation for N-[2-(4-bromobutyl)quinolin-8-yl]benzamide?
The canonical SMILES for N-[2-(4-bromobutyl)quinolin-8-yl]benzamide is O=C(Nc1cccc2ccc(CCCCBr)nc12)c1ccccc1.
What is the InChIKey of N-[2-(4-bromobutyl)quinolin-8-yl]benzamide?
The InChIKey is MJXWKXOGXIZYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O/c21-14-5-4-10-17-13-12-15-9-6-11-18(19(15)22-17)23-20(24)16-7-2-1-3-8-16/h1-3,6-9,11-13H,4-5,10,14H2,(H,23,24).
What are the key properties of N-[2-(4-bromobutyl)quinolin-8-yl]benzamide?
N-[2-(4-bromobutyl)quinolin-8-yl]benzamide has a molecular weight of 383.29 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromobutyl)quinolin-8-yl]benzamide is sourced from PubChem (CID 154718852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).