4-bromo-2-prop-2-enyl-N-quinolin-8-ylbenzamide

C19H15BrN2O — CID 134949198

IUPAC4-bromo-2-prop-2-enyl-N-quinolin-8-ylbenzamide
SMILESC=CCc1cc(Br)ccc1C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C19H15BrN2O/c1-2-5-14-12-15(20)9-10-16(14)19(23)22-17-8-3-6-13-7-4-11-21-18(13)17/h2-4,6-12H,1,5H2,(H,22,23)
InChIKeyPTNHPMCQYXXKRG-UHFFFAOYSA-N
MW367.25 g/mol
LogP4.98
Rot. Bonds4

About 4-bromo-2-prop-2-enyl-N-quinolin-8-ylbenzamide

4-bromo-2-prop-2-enyl-N-quinolin-8-ylbenzamide (PubChem CID 134949198) has the molecular formula C19H15BrN2O and a molecular weight of 367.25 g/mol. Its IUPAC name is 4-bromo-2-prop-2-enyl-N-quinolin-8-ylbenzamide.

Molecular Properties

Compound Name4-bromo-2-prop-2-enyl-N-quinolin-8-ylbenzamide
PubChem CID134949198
Molecular FormulaC19H15BrN2O
Molecular Weight367.25 g/mol
Exact Mass366.04
IUPAC Name4-bromo-2-prop-2-enyl-N-quinolin-8-ylbenzamide
SMILESC=CCc1cc(Br)ccc1C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C19H15BrN2O/c1-2-5-14-12-15(20)9-10-16(14)19(23)22-17-8-3-6-13-7-4-11-21-18(13)17/h2-4,6-12H,1,5H2,(H,22,23)
InChIKeyPTNHPMCQYXXKRG-UHFFFAOYSA-N
XLogP4.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.25
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-prop-2-enyl-N-quinolin-8-ylbenzamide?
The IUPAC name of 4-bromo-2-prop-2-enyl-N-quinolin-8-ylbenzamide (CID 134949198) is 4-bromo-2-prop-2-enyl-N-quinolin-8-ylbenzamide.
What is the SMILES notation for 4-bromo-2-prop-2-enyl-N-quinolin-8-ylbenzamide?
The canonical SMILES for 4-bromo-2-prop-2-enyl-N-quinolin-8-ylbenzamide is C=CCc1cc(Br)ccc1C(=O)Nc1cccc2cccnc12.
What is the InChIKey of 4-bromo-2-prop-2-enyl-N-quinolin-8-ylbenzamide?
The InChIKey is PTNHPMCQYXXKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2O/c1-2-5-14-12-15(20)9-10-16(14)19(23)22-17-8-3-6-13-7-4-11-21-18(13)17/h2-4,6-12H,1,5H2,(H,22,23).
What are the key properties of 4-bromo-2-prop-2-enyl-N-quinolin-8-ylbenzamide?
4-bromo-2-prop-2-enyl-N-quinolin-8-ylbenzamide has a molecular weight of 367.25 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-prop-2-enyl-N-quinolin-8-ylbenzamide is sourced from PubChem (CID 134949198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).